HRID120030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID45120888

未命名化合物

结构：Cc1cnc(CN(Cc2nccc3ccccc23)C2CCNCC2)c(C)c1

HCID67271521

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(Cc2nccc3ccccc23)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

HCID58997160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63aeb123e8114054bf983d9319a32835
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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