HRID2157082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(=O)CCC(=O)N(CC(C)C)NC(=O)C(CC(C)C)C(CC=Cc1ccccc1)C(=O)NOC1CCCCO1

HCID178467858

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)NN(CC(C)C)C(=O)CCC(C)O)C(CC=Cc1ccccc1)C(=O)NOC1CCCCO1

HCID178445361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa3635c64ecf4756bd06fa19a0f9806d
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

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