HRID1207191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID6115

Aniline

C6H7N

HCID6344

Dichloromethane

CH2Cl2

HCID11423

Benzenamine, 4-bromo-2-methyl-

C7H8BrN

结构：CCOC(=O)C1(CC=O)CCN(C(=O)OC(C)(C)C)CC1

HCID58478423

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1(CCNc2ccc(Br)cc2C)CCN(C(=O)OC(C)(C)C)CC1

HCID67421698

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b51aaca53e1e4a7f8497683837643666
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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