HRID1142853

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

HCID142110

4-(Trifluoromethoxy)benzoyl chloride

C8H4ClF3O2

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(OC(F)(F)F)cc1

HCID22346799

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38356dff6304421abbf8663ecd23b39c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Cl:54][CH2:55][Cl:56].[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[Cl:12])[cH:8][cH:9]1)([F:13])[F:14].[F:41][C:42]([F:43])([F:44])[c:45]1[cH:46][cH:47][c:48]([C:49]([Cl:50])=[O:51])[cH:52][cH:53]1.[NH2:15][c:16]1[c:17]([O:39][CH3:40])[cH:18][c:19](-[c:22]2[n:23][n:24]([CH:32]3[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]3)[c:25]3[n:26][cH:27][n:28][c:29]([NH2:31])[c:30]23)[cH:20][cH:21]1.[cH:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1>>[F:1][C:2]([O:3][c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[NH:15][c:16]2[c:17]([O:39][CH3:40])[cH:18][c:19](-[c:22]3[n:23][n:24]([CH:32]4[CH2:33][CH2:34][N:35]([CH3:38])[CH2:36][CH2:37]4)[c:25]4[n:26][cH:27][n:28][c:29]([NH2:31])[c:30]34)[cH:20][cH:21]2)[cH:8][cH:9]1)([F:13])[F:14]