Bicarbonate Ion → Hydrochloric Acid

HRID 154107Notes

Reaction equation

HRID 154107 reaction equation
[C:34](=[O:35])([OH:36])[O-:37].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[I-:40].[K+:38].[K+:39].[OH2:48].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:21].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:22][CH2:23][CH2:24][CH2:25][C:26](=[O:27])[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 7

HCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 15723AzacyclonolHCID 30165Iodide IonHCID 703385-Chloro-1-phenyl-1-pentanone

Product 2

HCID 313Hydrochloric AcidHCID 215529885-[4-[Hydroxy(diphenyl)methyl]-1-piperidyl]-1-phenyl-pentan-1-one

Sources & evidence

ORD record
ord-59a1b8b0921c48bc985bad5e9ed491ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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