HRID1575388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID79019

(+/-)-Valinol

C5H13NO

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

HCID76834707

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8aedfa56e50c49b9bc26c046080ec1d6
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

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