Acetone → Bromide ion

HRID 1236943Notes

Reaction equation

HRID 1236943 reaction equation
[BrH:36].[CH3:1][C:2]1([CH3:5])[N:3]=[C:4]([c:7]2[cH:8][c:9]3[c:13]([cH:14][cH:15]2)[C:12]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)([CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH3:28])[O:11][CH2:10]3)[O:29][CH2:6]1.[CH3:43][C:44](=[O:45])[CH3:46].[NH3:35].[OH2:47].[P:30]([Cl:31])([Cl:32])([Cl:33])=[O:34].[cH:37]1[cH:38][cH:39][n:40][cH:41][cH:42]1>>[Br-:36].[N:3]#[C:4][c:7]1[cH:8][c:9]2[c:13]([cH:14][cH:15]1)[C:12]([c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)([CH2:23][CH2:24][CH2:25][NH+:26]([CH3:27])[CH3:28])[O:11][CH2:10]2

Participants

9

Reactant 7

HCID 180AcetoneHCID 222AmmoniaHCID 260Hydrogen BromideHCID 962WaterHCID 1049PyridineHCID 24813Phosphorus oxychlorideHCID 112232084,4-Dimethyl-2-[1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-yl]oxazoline

Product 2

HCID 259Bromide ionHCID 248483753-(5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl)-N,N-dimethylpropan-1-aminium

Sources & evidence

ORD record
ord-27cf4dd0fed74bd99a15da11cd006674
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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