HRID2339653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID10197725

未命名化合物

结构：C=CCc1c(C)ccc(NS(=O)(=O)c2cccc(C)c2)c1OCc1ccccc1

HCID22475359

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(S(=O)(=O)Nc2ccc(C)c(CC(=O)NCc3ccc(N)nc3C)c2OCc2ccccc2)c1

HCID22475355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24f47c78f10c4ae48876a11f8bf71ea5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([CH2:27][CH:28]=[CH2:29])[c:4]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([CH3:18])[cH:15][cH:16][cH:17]2)[cH:6][cH:7]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[Cl:54][CH2:55][Cl:56].[ClH:37].[ClH:38].[NH2:39][c:40]1[n:41][c:42]([CH3:48])[c:43]([CH2:46][NH2:47])[cH:44][cH:45]1.[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH3:1][c:2]1[c:3]([CH2:27][C:28]([NH:47][CH2:46][c:43]2[c:42]([CH3:48])[n:41][c:40]([NH2:39])[cH:45][cH:44]2)=[O:49])[c:4]([O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:5]([NH:8][S:9](=[O:10])(=[O:11])[c:12]2[cH:13][c:14]([CH3:18])[cH:15][cH:16][cH:17]2)[cH:6][cH:7]1