HRID1137227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

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

HCID9989490

1-methylisoquinolin-5-amine

C10H10N2

PRODUCTS

生成物

结构：Cc1nccc2c(NC(=O)c3ccc(-c4ccccc4)cc3)cccc12

HCID57682685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cef3436a4ca34f9f94bb93fcaefd977a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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