HRID197719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6212

Chloroform

CHCl3

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8471

Triethylamine

C6H15N

结构：Cc1nc2ccc(C(=O)NCc3ccccn3)cc2n1Cc1ccc(N)cc1

HCID18680884

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2ccc(C(=O)NCc3ccccn3)cc2n1Cc1ccc(NS(=O)(=O)c2ccccc2)cc1

HCID18681088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-696992777ce44ad5899c6eeddac52a10
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][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH:18]([Cl:19])([Cl:20])[Cl:21].[NH2:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][n:28]2[c:29]([CH3:47])[n:30][c:31]3[c:32]2[cH:33][c:34]([C:37]([NH:38][CH2:39][c:40]2[n:41][cH:42][cH:43][cH:44][cH:45]2)=[O:46])[cH:35][cH:36]3)[cH:48][cH:49]1.[OH2:50].[c:8]1([S:14](=[O:15])(=[O:16])[Cl:17])[cH:9][cH:10][cH:11][cH:12][cH:13]1>>[c:8]1([S:14](=[O:15])(=[O:16])[NH:22][c:23]2[cH:24][cH:25][c:26]([CH2:27][n:28]3[c:29]([CH3:47])[n:30][c:31]4[c:32]3[cH:33][c:34]([C:37]([NH:38][CH2:39][c:40]3[n:41][cH:42][cH:43][cH:44][cH:45]3)=[O:46])[cH:35][cH:36]4)[cH:48][cH:49]2)[cH:9][cH:10][cH:11][cH:12][cH:13]1