Bicarbonate Ion → Hydrochloric Acid

HRID 96160Notes

Reaction equation

HRID 96160 reaction equation
[C:30](=[O:31])([OH:32])[O-:33].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1.[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[CH2:7][CH:8]([CH2:11][NH:12][CH3:13])[CH2:9][S:10]2.[I-:29].[Na+:28].[Na+:34]>>[ClH:15].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[CH2:7][CH:8]([CH2:11][N:12]([CH3:13])[CH2:16][CH2:17][CH2:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]1)[CH2:9][S:10]2

Participants

8

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 197503-(4-Fluorobenzoyl)propyl chlorideHCID 30165Iodide IonHCID 19982156HCID 19982156, compound

Product 2

HCID 313Hydrochloric AcidHCID 199821424-[(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methyl-methylamino]-1-(4-fluorophenyl)butan-1-one

Sources & evidence

ORD record
ord-6ad3ca3288444ccf869b1ee0f9d2628d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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