HRID100894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID11099

p-Hydroxynorephedrine

C9H13NO2

HCID2724942

未命名化合物

结构：COC(=O)c1ccc(-c2cc(C)c(OCC(C)=O)c(C)c2)cc1C(C)C

HCID23090746

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2cc(C)c(OCC(C)NC(C)C(O)c3ccc(O)cc3)c(C)c2)cc1C(C)C

HCID178497506

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0af69ac800494ac3823b4aa3b284be1f
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

[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:53][C:54](=[O:55])[OH:56].[CH:27]([CH3:28])([CH3:29])[c:30]1[cH:31][c:32](-[c:40]2[cH:41][c:42]([CH3:52])[c:43]([O:47][CH2:48][C:49]([CH3:50])=[O:51])[c:44]([CH3:46])[cH:45]2)[cH:33][cH:34][c:35]1[C:36](=[O:37])[O:38][CH3:39].[NH2:15][CH:16]([CH:17]([OH:18])[c:19]1[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]1)[CH3:26].[Na+:14].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1>>[NH:15]([CH:16]([CH:17]([OH:18])[c:19]1[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]1)[CH3:26])[CH:49]([CH2:48][O:47][c:43]1[c:42]([CH3:52])[cH:41][c:40](-[c:32]2[cH:31][c:30]([CH:27]([CH3:28])[CH3:29])[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:34][cH:33]2)[cH:45][c:44]1[CH3:46])[CH3:50]