HRID2130416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7852

Propylamine

C3H9N

结构：COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)Nc1c(OC(C)C)c(=O)c1=O

HCID57987604

未命名化合物

PRODUCTS

生成物

结构：CCCNc1c(NC(Cc2ccc3nc(-c4c(Cl)cccc4Cl)ccc3c2)C(=O)OC)c(=O)c1=O

HCID57987645

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d44e560a2c2346b59c9aacc9f4408115
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

[CH2:36]([CH2:37][CH3:38])[NH2:39].[CH3:45][OH:46].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[cH:12][cH:13][c:14]([CH2:19][CH:20]([C:21](=[O:22])[O:23][CH3:24])[NH:25][c:26]4[c:27]([O:32][CH:33]([CH3:34])[CH3:35])[c:28](=[O:31])[c:29]4=[O:30])[cH:15][c:16]3[cH:17][cH:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:47]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[cH:12][cH:13][c:14]([CH2:19][CH:20]([C:21](=[O:22])[O:23][CH3:24])[NH:25][c:26]4[c:27]([NH:39][CH2:36][CH2:37][CH3:38])[c:28](=[O:31])[c:29]4=[O:30])[cH:15][c:16]3[cH:17][cH:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1