HRID1128665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID10171338

未命名化合物

结构：Cc1c(CCl)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12

HCID22574363

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C(O)CN(C)Cc2sc3c(=O)c(C(=O)NCc4ccc(Cl)cc4)cn(C)c3c2C)cc1

HCID10218486

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91e8d8b65c91444b8c4b8354573157e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:23])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH3:22])[c:18]([CH2:20][Cl:21])[s:19]3)[cH:24][cH:25]1.[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:55].[OH:26][CH:27]([CH2:28][NH:29][CH3:30])[c:31]1[cH:32][cH:33][c:34]([NH:37][C:38]([CH3:39])=[O:40])[cH:35][cH:36]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[c:11](=[O:23])[c:12]3[c:13]([n:14]([CH3:16])[cH:15]2)[c:17]([CH3:22])[c:18]([CH2:20][N:29]([CH2:28][CH:27]([OH:26])[c:31]2[cH:32][cH:33][c:34]([NH:37][C:38]([CH3:39])=[O:40])[cH:35][cH:36]2)[CH3:30])[s:19]3)[cH:24][cH:25]1