Ammonium → Hydrochloric Acid

HRID 2161335Notes

Reaction equation

HRID 2161335 reaction equation
[Br-:23].[CH2:1]([N+:2]([CH2:3][CH2:4][CH2:5][CH3:6])([CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH3:17].[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl-:24].[Cl:25][CH2:26][CH2:27][N:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[CH2:36][CH2:37][Cl:38].[N:39]#[C:40][CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[NH4+:50].[Na+:49].[OH-:48].[S:18]([O-:19])([OH:20])(=[O:21])=[O:22].[S:58]([O-:59])([OH:60])(=[O:61])=[O:62]>>[CH2:26]1[CH2:27][N:28]([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:36][CH2:37][C:41]1([C:40]#[N:39])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[ClH:25]

Participants

12

Reactant 10

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 5928N-BenzylnormechlorethamineHCID 8794PhenylacetonitrileHCID 16028Tetrabutylammonium2×HCID 61778Sulfate, hydrogen2×

Product 2

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

Sources & evidence

ORD record
ord-7d743041b8d64d5dbf3ed286ccd50c71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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