HRID1547450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID20645078

2-Amino-2-benzylpropane-1,3-diol

C10H15NO2

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(N)(CO)Cc2ccccc2)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID72977086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a53bdadc12b4972b3024b65400fafb7
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:14][CH2:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[NH:21][CH:22]([CH3:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:31][c:32]([N:34]([S:35](=[O:36])(=[O:37])[CH3:38])[CH3:39])[cH:33]1.[NH2:1][C:2]([CH2:3][OH:4])([CH2:5][OH:6])[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[NH2:1][C:2]([CH2:3][OH:4])([CH2:5][O:6][CH2:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[NH:21][CH:22]([CH3:23])[c:24]2[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]2)[cH:31][c:32]([N:34]([S:35](=[O:36])(=[O:37])[CH3:38])[CH3:39])[cH:33]1)[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1