HRID292114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11041580

未命名化合物

结构：CC(NC(=O)c1cc(CBr)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID73241929

未命名化合物

PRODUCTS

生成物

结构：C=CCC(N)(COCc1cc(C(=O)NC(C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1

HCID11364916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58766003d4b0468cabd3659a71dc9c39
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

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