HRID298284

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11099

p-Hydroxynorephedrine

C9H13NO2

结构：COC(=O)c1ccc(-c2ccc(OCCBr)cc2)cc1SC(C)C

HCID69103348

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(OCCNC(C)C(O)c3ccc(O)cc3)cc2)cc1SC(C)C

HCID178497535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6c2244f1c1a4caeaae65ad7f83bc4dd
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:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[cH:31][c:32]([S:40][CH:41]([CH3:42])[CH3:43])[c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][cH:35]2)[cH:28][cH:29]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH:13]([NH:14][CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH3:12]>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH3:12])[CH2:21][CH2:22][O:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[cH:31][c:32]([S:40][CH:41]([CH3:42])[CH3:43])[c:33]([C:36](=[O:37])[O:38][CH3:39])[cH:34][cH:35]2)[cH:28][cH:29]1