HRID109537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID34319

1-(1H-Indol-3-yl)-2-(methylamino)ethan-1-ol

C11H14N2O

HCID81531

Diisopropylethylamine

C8H19N

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：Cc1c(CN(C)CC(O)c2c[nH]c3ccccc23)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12

HCID10239708

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f46eb6fb4225436a94a9fc6fbc79e987
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH:40]([N:41]([CH:42]([CH3:43])[CH3:44])[CH2:45][CH3:46])([CH3:47])[CH3:48].[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:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54].[nH:26]1[cH:27][c:28]([CH:35]([CH2:36][NH:37][CH3:38])[OH:39])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]12>>[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:37]([CH2:36][CH:35]([c:28]2[cH:27][nH:26][c:34]4[c:29]2[cH:30][cH:31][cH:32][cH:33]4)[OH:39])[CH3:38])[s:19]3)[cH:24][cH:25]1