p-Toluenesulfonic acid → 5-methyl-N-[4-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

HRID 198128

Reaction equation

HRID 198128 reaction equation
[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

Participants

6

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 7732P-AnisidineHCID 8028TetrahydrofuranHCID 534718325-Methyl-2-(methylthio)-7-phenylimidazo[5,1-F][1,2,4]triazineHCID 534718335-Methyl-2-(methylsulfonyl)-7-phenylimidazo[5,1-F][1,2,4]triazine

Product 1

HCID 445897295-methyl-N-[4-(methyloxy)phenyl]-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine

Sources & evidence

ORD record
ord-ea64979a071e4073a84c56a974cc8d63
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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