HRID1546098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11099

p-Hydroxynorephedrine

C9H13NO2

结构：Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1OCCOS(C)(=O)=O

HCID23090786

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1OCCNC(C)C(O)c1ccc(O)cc1

HCID178422709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34df67da084f4743827bf32761c6b15f
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

[CH3:1][S:2]([O:3][CH2:6][CH2:7][O:8][c:9]1[c:10]([CH3:32])[cH:11][c:12](-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:20][cH:21]2)[cH:13][c:14]1[CH3:15])(=[O:4])=[O:5].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:45]([NH:46][CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[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].[OH2:52]>>[CH2:6]([CH2:7][O:8][c:9]1[c:10]([CH3:32])[cH:11][c:12](-[c:16]2[cH:17][cH:18][c:19]([C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:20][cH:21]2)[cH:13][c:14]1[CH3:15])[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]