HRID388720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

$结构：COC(=O)[C@@]12C[C@H]1/C=C\CCCCN(C)C(=O)N1CC[C@@H](O)C[C@H]1C(=O)N2$

HCID68495095

未命名化合物

$结构：C#Cc1csc(-c2cc(O[C@@H]3CCN4C(=O)N(C)CCCC/C=C\[C@@H]5C[C@@]5(C(=O)OC)NC(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)n1$

HCID87472167

未命名化合物

结构：Cc1csc(-c2cc(O)nc(-c3nc(C(F)(F)F)cs3)n2)n1

HCID178431896

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@@]12C[C@H]1C=CCCCCN(C)C(=O)N1CC[C@H](Oc3cc(-c4nc(C)cs4)nc(-c4nc(C(F)(F)F)cs4)n3)C[C@H]1C(=O)N2

HCID68501381

未命名化合物

收率 97%

PROCEDURE

实验过程

(1S,4R,6S,18S)-18[6-(4-Methylthiazol-2-yl)-2-(4-trifluoromethylthiazol-2-yl)-pyrimidin-4-yloxy]-13-N-methyl-2,14-dioxo-3,13,15-triazatricyclo[13.4.0.0*4,6*]nonadec-7-ene-4-carboxylic acid methyl ester 41b was synthesized from compounds B1 (150 mg, 1.2 eq.) and 36 (44.3 mg, 1 eq), according to the procedure as described for compound 37, as a beige solid in 97% yield. MS (ESI, EI−) m/z=704 (MH−).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b08e7f3a6974432a2f397d1b616b52c
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08377962B2
来源说明: uspto-grants-2013_02

反应 SMILES

[CH3:1][C:2]1[N:3]=[C:4]([C:7]2[N:12]=[C:11]([C:13]3[S:14][CH:15]=[C:16]([C:18]([F:21])([F:20])[F:19])[N:17]=3)[N:10]=[C:9]([OH:22])[CH:8]=2)[S:5][CH:6]=1.[CH3:23][O:24][C:25]([C@@:27]12[CH2:45][C@H:44]1[CH:43]=[CH:42][CH2:41][CH2:40][CH2:39][CH2:38][N:37]([CH3:46])[C:36](=[O:47])[N:35]1[C@@H:30]([CH2:31][C@H:32](O)[CH2:33][CH2:34]1)[C:29](=[O:49])[NH:28]2)=[O:26].COC([C@@]12C[C@H]1C=CCCCCN(C)C(=O)N1[C@@H](C[C@H](OC3C4C(=C(C)C(OC)=CC=4)N=C(C4SC=C(C#C)N=4)C=3)CC1)C(=O)N2)=O>>[CH3:23][O:24][C:25]([C@@:27]12[CH2:45][C@H:44]1[CH:43]=[CH:42][CH2:41][CH2:40][CH2:39][CH2:38][N:37]([CH3:46])[C:36](=[O:47])[N:35]1[C@@H:30]([CH2:31][C@@H:32]([O:22][C:9]3[CH:8]=[C:7]([C:4]4[S:5][CH:6]=[C:2]([CH3:1])[N:3]=4)[N:12]=[C:11]([C:13]4[S:14][CH:15]=[C:16]([C:18]([F:21])([F:20])[F:19])[N:17]=4)[N:10]=3)[CH2:33][CH2:34]1)[C:29](=[O:49])[NH:28]2)=[O:26]