Bromide ion → Hydrochloric Acid

HRID 1545793Notes

Reaction equation

HRID 1545793 reaction equation
[Br-:28].[CH2:29]([P+:30]([CH2:31][CH3:32])([CH2:33][CH3:34])[CH2:35][CH3:36])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:53][OH:54].[Cl:14][CH2:15][CH2:16][N:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][CH2:26][Cl:27].[ClH:13].[ClH:52].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1.[Na+:12].[OH-:11].[OH2:55]>>[ClH:14].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:9]#[N:10])[CH2:15][CH2:16][N:17]([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:25][CH2:26]2)[cH:6][cH:7]1

Participants

11

Reactant 9

HCID 259Bromide ionHCID 313Hydrochloric Acid2×HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 5928N-BenzylnormechlorethamineHCID 68016Benzeneacetonitrile, 4-fluoro-HCID 19107688HCID 19107688, compound

Product 2

HCID 313Hydrochloric AcidHCID 544971891-Benzyl-4-(4-fluoro-phenyl)-piperidine-4-carbonitrile

Sources & evidence

ORD record
ord-4091d7ece74a46a38862d796df98e42d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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