HRID312506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID55285368

1-(1H-Pyrazolo[3,4-b]pyridin-4-yl)methanamine

C7H8N4

HCID68908856

未命名化合物

PRODUCTS

生成物

结构：CC1(C)CCNc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ncc34)ccc21

HCID58942003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faab49bed03d4ff2857fe0c964092c48
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]1([CH3:22])[CH2:3][CH2:4][NH:5][c:6]2[cH:7][c:8]([NH:12][C:13]([c:14]3[c:15]([F:20])[n:16][cH:17][cH:18][cH:19]3)=[O:21])[cH:9][cH:10][c:11]21.[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[nH:23]1[n:24][cH:25][c:26]2[c:27]1[n:28][cH:29][cH:30][c:31]2[CH2:32][NH2:33]>>[CH3:1][C:2]1([CH3:22])[CH2:3][CH2:4][NH:5][c:6]2[cH:7][c:8]([NH:12][C:13]([c:14]3[c:15]([NH:33][CH2:32][c:31]4[c:26]5[cH:25][n:24][nH:23][c:27]5[n:28][cH:29][cH:30]4)[n:16][cH:17][cH:18][cH:19]3)=[O:21])[cH:9][cH:10][c:11]21