Bromide ion → Hydrochloric Acid

HRID 2346929Notes

Reaction equation

HRID 2346929 reaction equation
[Br-:27].[CH2:28]([P+:29]([CH2:30][CH3:31])([CH2:32][CH3:33])[CH2:34][CH3:35])[CH2:36][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][CH3:50].[CH3:54][OH:55].[Cl:13][CH2:14][CH2:15][N:16]([CH2:17][CH2:18][Cl:19])[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[ClH:12].[ClH:51].[K+:53].[N:1]#[C:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[Na+:11].[OH-:10].[OH-:52].[OH2:56]>>[ClH:13].[N:1]#[C:2][C:3]1([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[CH2:14][CH2:15][N:16]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:17][CH2:18]1

Participants

12

Reactant 10

HCID 259Bromide ionHCID 313Hydrochloric Acid2×HCID 813Potassium CationHCID 887MethanolHCID 923Sodium ionHCID 961Hydroxide2×HCID 962WaterHCID 5928N-BenzylnormechlorethamineHCID 8794PhenylacetonitrileHCID 19107688HCID 19107688, compound

Product 2

HCID 313Hydrochloric AcidHCID 1914081-Benzyl-4-cyano-4-phenylpiperidine

Sources & evidence

ORD record
ord-83a107723d624fbf8d94c6a35d438efd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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