Acetic Acid → HCID 178436697, compound

HRID 2124979Notes

Reaction equation

HRID 2124979 reaction equation
[C:10]([CH3:12])([CH3:13])([O:14][C:15](=[O:11])[CH2:16][CH2:17][CH:18]([CH:19]([CH3:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[OH:36])[CH3:37].[CH3:1][C:2](=[O:3])[OH:4].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:5][S:6](=[O:7])(=[O:8])[OH:9].[Na+:42].[O-:38][C:39]([OH:40])=[O:41]>>[O:14]=[C:15]1[CH2:16][CH2:17][CH:18]([CH:19]([CH3:20])[N:21]([CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[O:36]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 6395Methanesulfonic AcidHCID 178459143HCID 178459143, compound

Product 1

HCID 178436697HCID 178436697, compound

Sources & evidence

ORD record
ord-a67e6f54040141dbb3bf285212f50d7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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