HRID553331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5280453

Calcitriol

C27H44O3

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5281107

1-Hydroxyvitamin D2

C28H44O2

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(O)(C(F)(F)F)C(F)(F)F)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5282190

(+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol

C27H38F6O3

$结构：C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]12$

HCID5283731

Calcifediol

C27H44O2

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5283734

Tacalcitol

C27H44O3

$结构：C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](O)C(C)(C)O)CC[C@@H]12$

HCID5283748

24R,25-Dihydroxyvitamin D3

C27H44O3

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/C=C/C(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5288149

Seocalcitol

C30H46O3

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@@H](C)OCCCC(O)(CC)CC)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5288670

Lexacalcitol

C29H48O4

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5288783

Calcipotriene

C27H40O3

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)OCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID6398761

Maxacalcitol

C26H42O4

$结构：CC(C)C(C)/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3\C[C@@H](O)CC[C@@H]3C)CCC[C@]12C$

HCID21678311

未命名化合物

结构：C=C1CC(C(C)=O)CCCNC(=O)CC(C(C)C(=O)C(Cc2ccccc2)NC)C(=C)C(C)C(CCCCN)C(=O)CC(Cc2ccccc2)C(=O)C(C)C1Cc1c[nH]cn1

HCID178425710

未命名化合物

PRODUCTS

生成物

$结构：C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]23)C[C@@H](O)C[C@@H]1O$

HCID5282181

Alfacalcidol

C27H44O2

PROCEDURE

实验过程

calcifediol; calcipotriol; calcitonin; calcitriol; dihydrotachysterol; doxercalciferol; falecalcitriol; lexacalcitol; maxacalcitol; secalciferol; seocalcitol; tacalcitol;

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f66befe66144f0599f42b4d557a4613
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07951398B2
来源说明: uspto-grants-2011_05

反应 SMILES

C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=[C:21]3\[CH2:22][C@@H:23](O)[CH2:24][CH2:25][C:26]\3=[CH2:27])/[C@@H]2CC1)CCCC(O)(C)C.C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=[CH:48]\[CH:49]=[C:50]3\[CH2:51][C@@H:52]([OH:58])[CH2:53][C@H:54]([OH:57])[C:55]\3=[CH2:56])/[C@@H]2CC1)/C=C/[C@@H](O)C1CC1.[CH3:60][CH:61]1[C:83](=C)[CH:82](C(C(C(NC)CC2C=CC=CC=2)=O)C)[CH2:81]C(=O)NCCCC(C(C)=O)CC(=C)C(CC2N=CNC=2)C(C)[C:67](=O)[CH:66]([CH2:109]C2C=CC=CC=2)[CH2:65][C:63](=O)[CH:62]1CCCCN.C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1)CCCC(O)(C)C.C[C@H]1CC[C@H](O)C/C/1=C\C=C1/CCC[C@]2(C)[C@@H]([C@@H](/C=C/C(C(C)C)C)C)CC[C@@H]/12.C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1)/C=C/[C@@H](C(C)C)C.C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1)CCCC(O)(C(F)(F)F)C(F)(F)F.CCC(O)(CCCO[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1)C)CC.C[C@H](OCCC(O)(C)C)[C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1.C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)CCC\3=C)/[C@@H]2CC1)CC[C@@H](O)C(O)(C)C.CCC(O)(/C=C/C=C/[C@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1)C)CC.C[C@@H]([C@@H]1[C@@]2(C)CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@@H]2CC1)CC[C@@H](O)C(C)C>>[CH3:60][C@@H:61]([C@@H:83]1[C@@:26]2([CH3:27])[CH2:25][CH2:24][CH2:23]/[C:22](=[CH:48]\[CH:49]=[C:50]3\[CH2:51][C@@H:52]([OH:58])[CH2:53][C@H:54]([OH:57])[C:55]\3=[CH2:56])/[C@@H:21]2[CH2:81][CH2:82]1)[CH2:62][CH2:63][CH2:65][CH:66]([CH3:67])[CH3:109]