HRID86851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7812

4-Chloroaniline

C6H6ClN

HCID8471

Triethylamine

C6H15N

HCID14284

4-(Dimethylamino)pyridine

C7H10N2

HCID15908

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

C8H17N3

HCID178463419

3-[1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]benzoic acid

C20H17N5O2

PRODUCTS

产物

HCID18375658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8f849269824341359ea6fa922a406751
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1](=[O:2])([OH:3])[c:4]1[cH:5][c:6]([CH:10]([CH3:11])[NH:12][c:13]2[n:14][cH:15][cH:16][c:17](-[n:19]3[cH:20][n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:18]2)[cH:7][cH:8][cH:9]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:44][N:45]([CH3:46])[CH2:47][CH2:48][CH2:49][N:50]=[C:51]=[N:52][CH2:53][CH3:54].[CH3:58][N:59]([CH3:60])[c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1.[Cl:55][CH2:56][Cl:57].[ClH:43].[NH2:35][c:36]1[cH:37][cH:38][c:39]([Cl:40])[cH:41][cH:42]1>>[C:1](=[O:2])([c:4]1[cH:5][c:6]([CH:10]([CH3:11])[NH:12][c:13]2[n:14][cH:15][cH:16][c:17](-[n:19]3[cH:20][n:21][c:22]4[c:23]3[cH:24][cH:25][cH:26][cH:27]4)[n:18]2)[cH:7][cH:8][cH:9]1)[NH:35][c:36]1[cH:37][cH:38][c:39]([Cl:40])[cH:41][cH:42]1