HRID2344502

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID13480221

2-Methoxyethane-1-sulfonyl chloride

C3H7ClO3S

结构：Nc1cccc(C23CCCC(C2)N(Cc2ccccc2)CC3)c1

HCID22064584

未命名化合物

PRODUCTS

生成物

结构：COCCS(=O)(=O)Nc1cccc(C23CCCC(C2)N(Cc2ccccc2)CC3)c1

HCID86594616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54096e4a04594408b4cd511b67f182b6
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

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