HRID97085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16088

1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diphenyl-

C15H12ClN5

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID81531

Diisopropylethylamine

C8H19N

PRODUCTS

生成物

结构：Fc1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1

HCID67212942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a7e80b251fe450b9ef81369904ec645
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

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