HRID1150642

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCNCC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68294868

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(CNC(=O)c2cc(C3=CCN(S(C)(=O)=O)CC3)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID68351039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8763a1a405994d178f64a814a8b4739c
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

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