HRID2332522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

结构：COc1cc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)ccc1N

HCID22347016

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2nn(C3CCN(C)CC3)c3ncnc(N)c23)ccc1NC(=O)c1ccc(C(F)(F)F)cc1

HCID22346829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db727225a6e14b56813aa071cabaefee
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Cl:40][CH2:41][Cl:42].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[Cl:11])[cH:7][cH:8]1)([F:12])[F:13].[NH2:14][c:15]1[c:16]([O:38][CH3:39])[cH:17][c:18](-[c:21]2[n:22][n:23]([CH:31]3[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]3)[c:24]3[n:25][cH:26][n:27][c:28]([NH2:30])[c:29]23)[cH:19][cH:20]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([C:9](=[O:10])[NH:14][c:15]2[c:16]([O:38][CH3:39])[cH:17][c:18](-[c:21]3[n:22][n:23]([CH:31]4[CH2:32][CH2:33][N:34]([CH3:37])[CH2:35][CH2:36]4)[c:24]4[n:25][cH:26][n:27][c:28]([NH2:30])[c:29]34)[cH:19][cH:20]2)[cH:7][cH:8]1)([F:12])[F:13]