HRID686783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID66038

Benzenamine, 4-(methylthio)-

C7H9NS

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：CSc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1

HCID11152214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86c37f969578489eba52c0327e1a0c2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[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.[CH3:39][S:40][c:41]1[cH:42][cH:43][c:44]([NH2:45])[cH:46][cH:47]1.[CH3:48][CH2:49][OH:50]>>[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:45][c:44]3[cH:43][cH:42][c:41]([S:40][CH3:39])[cH:47][cH:46]3)[n:8][cH:9][c:10]12