HRID2146842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID430627

4-Chloro-1,1'-biphenyl-2-ylamine

C12H10ClN

PRODUCTS

生成物

HCID11425106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2440f38abc09455d827623d722368643
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

[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH3:21][C:22](=[O:23])[O:24][C:25](=[O:26])[CH3:27].[CH3:33][N:34]([CH3:35])[c:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1.[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[Cl-:28].[Cl:1][c:2]1[cH:3][c:4]([NH2:14])[c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[Cl:30][CH2:31][Cl:32].[NH4+:29].[cH:15]1[cH:16][cH:17][n:18][cH:19][cH:20]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:14][C:22]([CH3:21])=[O:23])[c:5](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:6][cH:7]1