HRID160802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID58856331

β-Amino-β-butylbenzenepropanol

C13H21NO

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

HCID11192368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-449fdc8d40d444eea4dce3512823c9ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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