HRID1127924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID226832

3-Aminopentan-2-ol

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(CC)C(C)O

HCID178442526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b77d0a0bee148ed89bce0914396b987
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

[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:25])[C:5](=[O:24])[O:6][CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:26].[NH2:27][CH:28]([CH:29]([CH3:30])[OH:31])[CH2:32][CH3:33]>>[CH2:1]([CH:2]=[CH2:3])[C:4]([C:5](=[O:24])[NH:27][CH:28]([CH:29]([CH3:30])[OH:31])[CH2:32][CH3:33])([CH2:9][CH:8]([CH:7]([OH:6])[c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)[c:10]1[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]1)[CH3:25]