Hydrochloric Acid → Acetic Acid

HRID 2139173Notes

Reaction equation

HRID 2139173 reaction equation
[C:41]([O-:42])([OH:43])=[O:44].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[Cl:18][c:19]1[cH:20][c:21]([CH2:22][N:23]2[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]2)[cH:30][cH:31][c:32]1[Cl:33].[Cl:46][CH2:47][Cl:48].[ClH:17].[Na+:45].[c:1]1(-[c:7]2[n:8][n:9][c:10]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[CH3:13][C:14](=[O:15])[OH:16].[c:1]1(-[c:7]2[n:8][n:9][c:10]([CH2:12][C:41]([NH:29][CH:26]3[CH2:25][CH2:24][N:23]([CH2:22][c:21]4[cH:20][c:19]([Cl:18])[c:32]([Cl:33])[cH:31][cH:30]4)[CH2:28][CH2:27]3)=[O:44])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 8471TriethylamineHCID 71306335-Phenyl-1,3,4-oxadiazole-2-propionic acidHCID 109781561-[(3,4-Dichlorophenyl)methyl]piperidin-4-amine

Product 2

HCID 176Acetic AcidHCID 22396190N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide

Sources & evidence

ORD record
ord-7701a60a13d04a559b6b6493d697d1b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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