HRID155165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID24386

Thionyl chloride

Cl2OS

HCID185717

4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine

C11H12ClN

结构：O=C(O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1

HCID13544838

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CC=C(c2ccc(Cl)cc2)CC1

HCID3054996

Pyridine, 1,2,3,6-tetrahydro-4-(4-chlorophenyl)-1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-

C28H21ClF3N3O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e648b33c44b74f9d8abdb21cb7989c26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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