HRID2146296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID640792

1-Chloro-N,N,2-trimethylpropenylamine

C6H12ClN

结构：COc1cc(F)c2c(c1)C(CCO)(NC(=S)NC(=O)c1ccccc1)c1cc(Br)ccc1O2

HCID86658378

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c2c(c1)C1(CCSC(NC(=O)c3ccccc3)=N1)c1cc(Br)ccc1O2

HCID67436735

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f93236111ff848bab148fe2b47471e19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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