Sulfuric Acid → 11-Methyl-3-methylthio-11H-s-triazolo[3,4-b][3]benzazepine

HRID 195730Notes

Reaction equation

HRID 195730 reaction equation
[CH2:1]([O:2][CH:4]([O:3][CH2:21][CH3:22])[CH2:5][n:6]1[c:7]([CH:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH3:20])[n:8][n:9][c:10]1[S:11][CH3:12])[CH3:23].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[CH:4]1=[CH:5][n:6]2[c:7]([n:8][n:9][c:10]2[S:11][CH3:12])[CH:13]([CH3:20])[c:14]2[c:15]1[cH:16][cH:17][cH:18][cH:19]2

Participants

3

Reactant 2

HCID 1118Sulfuric AcidHCID 213235304-(2,2-diethoxyethyl)-3-(alpha-methylbenzyl)-5-methylthio-4H-1,2,4-triazole

Product 1

HCID 2132353411-Methyl-3-methylthio-11H-s-triazolo[3,4-b][3]benzazepine

Sources & evidence

ORD record
ord-e8be50bd4f6245d78dcd3e8d7a399bb4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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