HRID198128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID8028

Tetrahydrofuran

C4H8O

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：COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1

HCID44589729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea64979a071e4073a84c56a974cc8d63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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][O:40][c:41]1[cH:42][cH:43][c:44]([NH2:47])[cH:45][cH:46]1.[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[c:48]1([CH3:49])[cH:50][cH:51][c:52]([S:53]([OH:54])(=[O:55])=[O:56])[cH:57][cH:58]1>>[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:47][c:44]3[cH:43][cH:42][c:41]([O:40][CH3:39])[cH:46][cH:45]3)[n:8][cH:9][c:10]12