HRID316585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

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

C8H17N3

HCID233243

3-(pyridin-4-yl)propanoic acid

C8H9NO2

HCID69309579

未命名化合物

PRODUCTS

生成物

结构：CCc1c(NC(=O)CCc2ccncc2)ncc2c1c1ccccc1n2C(C)C

HCID10110712

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-899fdc5344c34a1bb26998df2f89ca74
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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