HRID1553643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID66724

[1,1'-Biphenyl]-4-carboxylic acid

C13H10O2

HCID715810

2-(Piperidin-4-yl)-1H-benzimidazole

C12H15N3

PRODUCTS

产物

反应SMILES：O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1

HCID16812804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a533fa48773a436faeec6974b97af12f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH3:32][N:33]([CH3:34])[CH2:35][CH2:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH3:42].[CH3:46][N:47]([CH3:48])[c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1.[Cl:43][CH2:44][Cl:45].[ClH:31].[NH:16]1[CH2:17][CH2:18][CH:19]([c:22]2[n:23][c:24]3[c:25]([nH:26]2)[cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21]1.[Na+:59].[O-:55][C:56]([OH:57])=[O:58].[OH2:60].[c:1]1(-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][cH:6]1>>[c:1]1(-[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][c:4]([C:7](=[O:9])[N:16]2[CH2:17][CH2:18][CH:19]([c:22]3[nH:23][c:24]4[c:25]([n:26]3)[cH:27][cH:28][cH:29][cH:30]4)[CH2:20][CH2:21]2)[cH:5][cH:6]1