HRID112125

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

结构：CCCC(C(=O)OC(C)(C)C)C(CC=Cc1ccc(-c2ccccc2)c(C)c1)C(=O)NC(C(=O)NC(C)c1ccccc1)C(C)(C)C

HCID178447526

未命名化合物

PRODUCTS

生成物

HCID22950119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec9404b7efb046cd950bbebb6b99d814
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

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