HRID2153842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7812

4-Chloroaniline

C6H6ClN

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID21904730

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cc1)C1=CCN(c2ncccn2)CC1

HCID11324497

N-(4-chlorophenyl)-1-pyrimidin-2-yl-1,2,3,6-tetrahydropyridine-4-carboxamide

C16H15ClN4O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc5a7c2ea3f74f4f87324fb5b82cb62b
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

[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:35][CH2:36][Cl:37].[NH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1.[O:16]=[CH:17][N:18]([CH3:19])[CH3:20].[OH2:54].[cH:21]1[cH:22][cH:23][n:24][cH:25][cH:26]1.[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][C:10]([C:13](=[O:14])[OH:15])=[CH:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][C:10]([C:13](=[O:15])[NH:27][c:28]3[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]3)=[CH:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1