Sulfuric Acid → 5-[(4-Bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole

Reaction equation

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][c:9]2[n:10][n:11][nH:12][n:13]2)[cH:6][cH:7]1.[C:14]([CH3:15])([CH3:16])([CH3:17])[OH:18].[OH:19][C:20]([C:21]([F:22])([F:23])[F:24])=[O:25].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][c:9]2[n:10][n:11][n:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[n:13]2)[cH:6][cH:7]1

Participants

Reactant 4

HCID 1118Sulfuric Acid

HCID 6386tert-Butanol

HCID 6422Trifluoroacetic acid

HCID 148887005-((4-bromophenyl)methyl)-1H-1,2,3,4-tetrazole

Product 1

HCID 148887015-[(4-Bromophenyl)methyl]-2-(1,1-dimethylethyl)-2H-tetrazole

Sources & evidence

ORD record: ord-0ebada536219450aa9fac923764db964
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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