Acetic Acid → HCID 21109932, compound

HRID 696384Notes

Reaction equation

HRID 696384 reaction equation
[C:34](=[O:35])([O-:36])[OH:37].[CH3:39][C:40](=[O:41])[OH:42].[NH2:5][c:6]1[c:7]([CH2:12][N:13]([CH:14]2[CH2:15][CH2:16][N:17]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:18][CH2:19]2)[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:8][cH:9][cH:10][cH:11]1.[Na+:38].[Na:1][O:2][C:3]#[N:4].[OH2:43]>>[O:2]=[C:3]([NH2:4])[NH:5][c:6]1[c:7]([CH2:12][N:13]([CH:14]2[CH2:15][CH2:16][N:17]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[CH2:18][CH2:19]2)[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:8][cH:9][cH:10][cH:11]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 21109928HCID 21109928, compoundHCID 178418852HCID 178418852, compound

Product 1

HCID 21109932HCID 21109932, compound

Sources & evidence

ORD record
ord-7e1257c3bf7342019846e57ef205a943
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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