HRID2313331

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7243

1,2-Phenylenediamine

C6H8N2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2736315

5-Bromo-2-fluorobenzoic acid

C7H4BrFO2

PRODUCTS

生成物

HCID24693313

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-296f648f6bdb4179bdbad6d740ef0997
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[CH3:21][N:22]([CH3:23])[CH2:24][CH2:25][CH2:26][N:27]=[C:28]=[N:29][CH2:30][CH3:31].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1.[ClH:20].[NH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[NH2:19].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:32].[OH:33][n:34]1[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[n:41][n:42]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([F:11])[c:6]([C:7](=[O:9])[NH:19][c:18]2[c:13]([NH2:12])[cH:14][cH:15][cH:16][cH:17]2)[cH:10]1