HRID814329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)(C(=O)Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11267141

未命名化合物

HCID57710443

6-Chloro-N-methyl-4-(2-methylphenyl)pyridin-3-amine

C13H13ClN2

PRODUCTS

生成物

结构：Cc1ccccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID10229532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a2a492be92141738c75119cb4521e4a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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