Ethanol → Hydrochloric Acid

Reaction equation

[C:1](=[O:2])([O:3][CH3:4])[N:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[C:30](=[O:31])([OH:32])[O-:33].[CH3:36][CH2:37][OH:38].[Cl:11][CH2:12][CH2:13][CH2:14][CH:15]([c:16]1[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]1)[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1.[Na+:34].[OH2:35]>>[C:1](=[O:2])([O:3][CH3:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:12][CH2:13][CH2:14][CH:15]([c:16]2[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]2)[c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[CH2:9][CH2:10]1.[ClH:11]

Participants

Reactant 6

HCID 702Ethanol

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 962Water

HCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)

HCID 142729Methyl piperazine-1-carboxylate

Product 2

HCID 313Hydrochloric Acid

Sources & evidence

ORD record: ord-2ab521f836d94891a72ee233fd1b2235
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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