HRID880820

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)[C@@]12C[C@H]1C=CCCCCN(C)C(=O)N1CC[C@H](Oc3cc(-c4cc(C)sc4C)nc(-c4nc(C(F)(F)F)cs4)n3)C[C@H]1C(=O)N2

HCID68497024

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)O)NC(=O)[C@@H]4C3)c3ccc(OC)c(C)c3n2)n1$

HCID87472044

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(O[C@H]3CCN4C(=O)N(C)CCCCC=C[C@@H]5C[C@@]5(C(=O)O)NC(=O)[C@@H]4C3)nc(-c3nc(C(F)(F)F)cs3)n2)c(C)s1

HCID68496931

未命名化合物

收率 90%

PROCEDURE

实验过程

(1S,4R,6S,18S)-18[6-(2,5-Dimethylthien-3-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 42v was synthesized from compound 41v (69 mg, 1.0 eq.), according to the procedure as described for compound 38, as a yellow oil in 90% yield. MS (ESI, EI−) m/z=703(MH−).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edf9bb727bad44bea9c95e08c8b565ee
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08993595B2
来源说明: uspto-grants-2015_03

反应 SMILES

C[O:2][C:3]([C@@:5]12[CH2:23][C@H:22]1[CH:21]=[CH:20][CH2:19][CH2:18][CH2:17][CH2:16][N:15]([CH3:24])[C:14](=[O:25])[N:13]1[C@@H:8]([CH2:9][C@@H:10]([O:26][C:27]3[CH:32]=[C:31]([C:33]4[CH:37]=[C:36]([CH3:38])[S:35][C:34]=4[CH3:39])[N:30]=[C:29]([C:40]4[S:41][CH:42]=[C:43]([C:45]([F:48])([F:47])[F:46])[N:44]=4)[N:28]=3)[CH2:11][CH2:12]1)[C:7](=[O:49])[NH:6]2)=[O:4].C(C1N=C(C2C=C(O[C@H]3C[C@@H]4N(C(=O)N(C)CCCCC=C[C@H]5[C@](C(O)=O)(NC4=O)C5)CC3)C3C(=C(C)C(OC)=CC=3)N=2)SC=1)#C>>[CH3:39][C:34]1[S:35][C:36]([CH3:38])=[CH:37][C:33]=1[C:31]1[N:30]=[C:29]([C:40]2[S:41][CH:42]=[C:43]([C:45]([F:46])([F:47])[F:48])[N:44]=2)[N:28]=[C:27]([O:26][C@@H:10]2[CH2:9][C@@H:8]3[N:13]([C:14](=[O:25])[N:15]([CH3:24])[CH2:16][CH2:17][CH2:18][CH2:19][CH:20]=[CH:21][C@H:22]4[C@:5]([C:3]([OH:4])=[O:2])([NH:6][C:7]3=[O:49])[CH2:23]4)[CH2:12][CH2:11]2)[CH:32]=1