HRID211852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID259744

3-Chloro-4-methylbenzene-1-sulfonyl chloride

C7H6Cl2O2S

HCID58268254

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(=O)c2ccnc3[nH]ccc23)cc1Cl

HCID44176833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3790ceac4264437fbfd73fe65276db6c
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

[CH3:32][OH:33].[Cl:20][c:21]1[cH:22][c:23]([S:28](=[O:29])(=[O:30])[Cl:31])[cH:24][cH:25][c:26]1[CH3:27].[NH2:1][c:2]1[c:3]([C:9](=[O:10])[c:11]2[c:12]3[c:13]([n:14][cH:15][cH:16]2)[nH:17][cH:18][cH:19]3)[n:4][cH:5][c:6]([Cl:8])[cH:7]1.[Na+:35].[OH-:34].[OH2:42].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[NH:1]([c:2]1[c:3]([C:9](=[O:10])[c:11]2[c:12]3[c:13]([n:14][cH:15][cH:16]2)[nH:17][cH:18][cH:19]3)[n:4][cH:5][c:6]([Cl:8])[cH:7]1)[S:28]([c:23]1[cH:22][c:21]([Cl:20])[c:26]([CH3:27])[cH:25][cH:24]1)(=[O:29])=[O:30]