HRID1142119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID458363

4-(Chloromethyl)benzamide

C8H8ClNO

HCID18526053

4-Methoxy-1H-indazol-3-amine

C8H9N3O

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1ccc(CN(C(=O)[O-])C(C)(C)C)cc1

HCID86661402

未命名化合物

PRODUCTS

生成物

HCID58054524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3266d57b92e44141af9e71b4b41fb07b
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

[CH3:13][C:14]([N:15]([CH2:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][n:22]2[c:23]3[c:24]([c:25]([O:26][CH3:27])[cH:28][cH:29][cH:30]3)[c:31]([NH:32][S:33]([c:34]3[s:35][c:36]([Cl:37])[cH:38][cH:39]3)(=[O:40])=[O:41])[n:42]2)[cH:43][cH:44]1)[C:45](=[O:46])[O-:47])([CH3:48])[CH3:49].[CH3:1][O:2][c:3]1[c:4]2[c:5]([NH2:12])[n:6][nH:7][c:8]2[cH:9][cH:10][cH:11]1.[CH3:63][S:64]([CH3:65])=[O:66].[Cl:52][CH2:53][c:54]1[cH:55][cH:56][c:57]([C:58](=[O:59])[NH2:60])[cH:61][cH:62]1.[K+:51].[OH-:50].[OH2:67]>>[CH3:1][O:2][c:3]1[c:4]2[c:5]([NH2:12])[n:6][n:7]([CH2:53][c:54]3[cH:55][cH:56][c:57]([C:58](=[O:59])[NH2:60])[cH:61][cH:62]3)[c:8]2[cH:9][cH:10][cH:11]1