HRID1149806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID4149212

2-amino-3,3-dimethylbutan-1-ol

C6H15NO

结构：C=CCC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)OC1=O

HCID76834563

未命名化合物

PRODUCTS

生成物

结构：C=CCC(C)(CC(c1cccc(Cl)c1)C(O)c1ccc(Cl)cc1)C(=O)NC(CO)C(C)(C)C

HCID77394624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc2e62e302964b53be32652a2e39bd57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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