HRID2141349

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8021

Diethylamine

C4H11N

结构：COc1ccc(C(=O)c2cn(Cc3cccc(NC(=O)C(F)(F)F)n3)c3ccccc3c2=O)cc1C

HCID57754779

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)c2cn(Cc3cccc(N)n3)c3ccccc3c2=O)cc1C

HCID57754540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-892ac0beb478430f891a722be1ba1f3c
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

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