HRID2133004

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID14887243

未命名化合物

HCID19031947

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)C1CC2CCCC2N1CC(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

HCID178449246

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74617e543ed74cc6949db4951261897d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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