HRID281589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID74404

2-Chloropyrimidine

C4H3ClN2

HCID81531

Diisopropylethylamine

C8H19N

结构：CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CNCC2)C(C)(C)C

HCID66931907

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(c1ncccn1)CC2)C(C)(C)C

HCID66931700

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc6cd838cd9a4c9dacc7101c7c88205b
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][C:2]([CH:3]([C:4](=[O:5])[NH:6][CH3:7])[NH:8][C:9](=[O:10])[c:11]1[n:12][c:13](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:14]2[c:15]1[CH2:16][NH:17][CH2:18][CH2:19]2)([CH3:26])[CH3:27].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:37][c:38]1[n:39][cH:40][cH:41][cH:42][n:43]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH3:1][C:2]([CH:3]([C:4](=[O:5])[NH:6][CH3:7])[NH:8][C:9](=[O:10])[c:11]1[n:12][c:13](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:14]2[c:15]1[CH2:16][N:17]([c:38]1[n:39][cH:40][cH:41][cH:42][n:43]1)[CH2:18][CH2:19]2)([CH3:26])[CH3:27]