HRID298857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID292507

1-Acetyl-5-aminoindoline

C10H12N2O

HCID53471832

5-Methyl-2-(methylsulfanyl)-7-phenylimidazo[5,1-f][1,2,4]triazine

C13H12N4S

结构：Cc1nc(-c2ccccc2)n2nc(S(C)(=O)=O)ncc12

HCID53471833

2-(Methanesulfonyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazine

C13H12N4O2S

PRODUCTS

生成物

结构：CC(=O)N1CCc2cc(Nc3ncc4c(C)nc(-c5ccccc5)n4n3)ccc21

HCID11451932

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edd9176c7a5944d88957c2fc9293b225
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

[C:39]([CH3:40])(=[O:41])[N:42]1[CH2:43][CH2:44][c:45]2[cH:46][c:47]([NH2:51])[cH:48][cH:49][c:50]21.[CH3:19][c:20]1[n:21][c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[n:29]2[c:30]1[cH:31][n:32][c:33]([S:34]([CH3:35])(=[O:36])=[O:37])[n:38]2.[CH3:1][c:2]1[n:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5]2[n:6][c:7]([S:11][CH3:12])[n:8][cH:9][c:10]12.[CH3:52][CH2:53][OH:54]>>[CH3:1][c:2]1[n:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5]2[n:6][c:7]([NH:51][c:47]3[cH:46][c:45]4[c:50]([cH:49][cH:48]3)[N:42]([C:39]([CH3:40])=[O:41])[CH2:43][CH2:44]4)[n:8][cH:9][c:10]12