HRID104370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID11099

p-Hydroxynorephedrine

C9H13NO2

结构：CCOC(=O)c1ccc(-c2ccc(OCCOS(C)(=O)=O)cc2)cc1

HCID23090736

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2ccc(OCCNC(C)C(O)c3ccc(O)cc3)cc2)cc1

HCID178468742

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-286382dc43754dcdbed5983274d913d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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