Ethanol → Hydrogen Bromide

HRID 1563283Notes

Reaction equation

HRID 1563283 reaction equation
[Br:1][CH2:2][c:3]1[c:4]([C:13]([F:14])([F:15])[F:16])[n:5][n:6]([CH3:12])[c:7]1[O:8][CH:9]([F:10])[F:11].[CH3:21][CH2:22][OH:23].[NH2:17][C:18]([NH2:19])=[S:20]>>[BrH:1].[CH2:2]([c:3]1[c:4]([C:13]([F:14])([F:15])[F:16])[n:5][n:6]([CH3:12])[c:7]1[O:8][CH:9]([F:10])[F:11])[S:20][C:18](=[NH:17])[NH2:19]

Participants

5

Reactant 3

HCID 702EthanolHCID 2723790ThioureaHCID 117228384-(bromomethyl)-5-(difluoromethoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole

Product 2

HCID 260Hydrogen BromideHCID 23075690[5-(Difluoromethoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl carbamimidothioate

Sources & evidence

ORD record
ord-3611fd5d71284567b1c7b791b65a6528
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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