Acetic Acid → HCID 178464188, compound

HRID 109878

Reaction equation

HRID 109878 reaction equation
[C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)(=[O:22])[CH:23]=[CH:24][C:25](=[O:26])[OH:27].[C:28](=[O:29])([OH:30])[O-:31].[C:42]([OH:43])(=[O:44])[CH3:45].[CH3:33][CH2:34][O:35][C:36]([CH3:37])=[O:38].[CH3:39][OH:40].[ClH:1].[NH2:2][CH:3]([CH3:4])[C:5](=[O:6])[N:7]1[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH2:13][CH2:14]1.[Na+:32].[OH2:41]>>[NH:2]([CH:3]([CH3:4])[C:5](=[O:6])[N:7]1[CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH2:13][CH2:14]1)[CH:24]([CH2:23][C:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)=[O:22])[C:25](=[O:26])[OH:27]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 8857Ethyl AcetateHCID 94714Beta-benzoylacrylic acidHCID 4180401-(2-Aminopropanoyl)pyrrolidine-2-carboxylic acid

Product 1

HCID 178464188HCID 178464188, compound

Sources & evidence

ORD record
ord-e2d1401fdbea4502bf758f1d6d62d567
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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