HRID282522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID5462222

Potassium

HCID10492756

4-Benzyloxybenzyl bromide

C14H13BrO

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(OCc2ccccc2)cc1

HCID18681166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6176c38ae11348e992e9205f7b4991dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:41](=[O:42])([OH:43])[O-:44].[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][c:33]1[cH:34][cH:35][c:36]([CH2:37][Br:38])[cH:39][cH:40]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:45].[K:1].[c:2]1([S:8](=[O:9])(=[O:10])[NH:11][C:12]([c:13]2[cH:14][c:15]([NH2:23])[c:16]([NH:19][C:20]([CH3:21])=[O:22])[cH:17][cH:18]2)=[O:24])[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[c:2]1([S:8](=[O:9])(=[O:10])[NH:11][C:12]([c:13]2[cH:14][c:15]([NH:23][CH2:37][c:36]3[cH:35][cH:34][c:33]([O:32][CH2:25][c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:40][cH:39]3)[c:16]([NH:19][C:20]([CH3:21])=[O:22])[cH:17][cH:18]2)=[O:24])[cH:3][cH:4][cH:5][cH:6][cH:7]1