HRID1575312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID90297

1-(Bromomethyl)-2,4-difluorobenzene

C7H5BrF2

结构：CC(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1N

HCID18680999

4-(Acetylamino)-3-amino-N-(phenylsulfonyl)benzamide

C15H15N3O4S

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cc1NCc1ccc(F)cc1F

HCID18680987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-784a89f5a0e84445b69acdd985672f0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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