Ethanol → Hydrogen Bromide

HRID 2312731Notes

Reaction equation

HRID 2312731 reaction equation
[Br:10][CH2:11][c:12]1[c:13]([C:14]#[N:15])[cH:16][cH:17][c:18]([O:20][C:21]([F:22])([F:23])[F:24])[cH:19]1.[CH3:25][CH2:26][OH:27].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][NH2:6])[cH:7][cH:8][cH:9]1>>[BrH:10].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]2[CH2:11][c:12]3[c:13]([cH:16][cH:17][c:18]([O:20][C:21]([F:22])([F:23])[F:24])[cH:19]3)[C:14]2=[NH:15])[cH:7][cH:8][cH:9]1

Participants

5

Reactant 3

HCID 702EthanolHCID 77802Benzenemethanamine, 3-chloro-HCID 226163012-(Bromomethyl)-4-(trifluoromethoxy)benzonitrile

Product 2

HCID 260Hydrogen BromideHCID 226163162-(3-Chloro-benzyl)-5-trifluoromethoxy-2,3-dihydro-isoindol-1-ylideneamine

Sources & evidence

ORD record
ord-d41dbf5d612e4529bcd21111055cc26e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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