HRID2332548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID45120888

未命名化合物

反应SMILES：Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(Cl)cc2)C2CCNCC2)c(C)c1

HCID67272348

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(Cl)cc2)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

HCID58997078

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-28f841b8c50345d2841df108410a3742
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

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