HRID199519

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21938415

3-Chloro-4,7-difluorobenzo[b]thiophene-2-carbonyl chloride

C9H2Cl2F2OS

结构：COc1cc(CNC2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc(-c2ccncc2)c1

HCID59683569

未命名化合物

PRODUCTS

生成物

结构：COc1cc(CN(C(=O)c2sc3c(F)ccc(F)c3c2Cl)C2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc(-c2ccncc2)c1

HCID59683545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-442c4c7ccb62485580efc5ae2a6ad008
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][CH:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22])[CH2:12][CH2:13]2)[cH:23][c:24](-[c:26]2[cH:27][cH:28][n:29][cH:30][cH:31]2)[cH:25]1.[Cl:32][c:33]1[c:34]2[c:35]([s:36][c:37]1[C:38](=[O:39])[Cl:40])[c:41]([F:46])[cH:42][cH:43][c:44]2[F:45]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][N:7]([CH:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH3:22])[CH2:12][CH2:13]2)[C:38]([c:37]2[c:33]([Cl:32])[c:34]3[c:35]([s:36]2)[c:41]([F:46])[cH:42][cH:43][c:44]3[F:45])=[O:39])[cH:23][c:24](-[c:26]2[cH:27][cH:28][n:29][cH:30][cH:31]2)[cH:25]1