HRID1538751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID3048992

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：CC(NC(=O)c1cc(COCC(C)(N)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID72822516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad243a308cd043c3b38aa63f5659b6c3
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

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