Acetic Acid → HCID 178431453, compound

HRID 118165Notes

Reaction equation

HRID 118165 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[C:45](=[O:46])([OH:47])[O-:48].[CH3:1][C:2]1([CH3:34])[O:3][CH2:4][CH:5]([C:7](=[O:8])[N:9]2[CH2:10][CH:11]=[C:12]([c:15]3[c:16]([F:33])[cH:17][c:18]([N:22]4[C:23](=[O:32])[O:24][CH:25]([CH2:27][O:28][C:29](=[O:30])[CH3:31])[CH2:26]4)[cH:19][c:20]3[F:21])[CH2:13][CH2:14]2)[O:6]1.[CH3:41][C:42](=[O:43])[OH:44].[CH3:50][OH:51].[K+:39].[K+:40].[Na+:49]>>[CH3:1][C:2]1([CH3:34])[O:3][CH2:4][CH:5]([C:7](=[O:8])[N:9]2[CH2:10][CH:11]=[C:12]([c:15]3[c:16]([F:33])[cH:17][c:18]([N:22]4[C:23](=[O:32])[O:24][CH:25]([CH2:27][OH:28])[CH2:26]4)[cH:19][c:20]3[F:21])[CH2:13][CH2:14]2)[O:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 19660Carbonate IonHCID 178475896HCID 178475896, compound

Product 1

HCID 178431453HCID 178431453, compound

Sources & evidence

ORD record
ord-c1f86d38f52a4dd6a7151f6444bfaa7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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