HRID2346167

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

HCID69262424

2-Fluoro-N-(2-methyl-5-benzothiazolyl)-3-pyridinecarboxamide

C14H10FN3OS

PRODUCTS

生成物

结构：Cc1nc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ncc34)ccc2s1

HCID58941991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-feee411c6f3f4baabb4949f19870457e
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

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