Acetic Acid → HCID 123295883, compound

HRID 2158981Notes

Reaction equation

HRID 2158981 reaction equation
[CH3:1][CH:2]([CH3:3])[CH:4]1[C:5](=[O:44])[NH:6][CH2:7][CH2:8][N:9]1[CH2:10][CH:11]1[N:12]([c:28]2[n:29][cH:30][c:31]([C:34]([C:35]([F:36])([F:37])[F:38])([C:39]([F:40])([F:41])[F:42])[OH:43])[cH:32][n:33]2)[CH2:13][CH2:14][N:15]([S:17](=[O:18])(=[O:19])[c:20]2[s:21][c:22]([N+:25]([O-:26])=[O:27])[cH:23][cH:24]2)[CH2:16]1.[CH3:50][C:51](=[O:52])[OH:53].[Fe:54].[Na+:49].[O-:45][C:46]([OH:47])=[O:48]>>[CH3:1][CH:2]([CH3:3])[CH:4]1[C:5](=[O:44])[NH:6][CH2:7][CH2:8][N:9]1[CH2:10][CH:11]1[N:12]([c:28]2[n:29][cH:30][c:31]([C:34]([C:35]([F:36])([F:37])[F:38])([C:39]([F:40])([F:41])[F:42])[OH:43])[cH:32][n:33]2)[CH2:13][CH2:14][N:15]([S:17](=[O:18])(=[O:19])[c:20]2[s:21][c:22]([NH2:25])[cH:23][cH:24]2)[CH2:16]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 23925IronHCID 178439774HCID 178439774, compound

Product 1

HCID 123295883HCID 123295883, compound

Sources & evidence

ORD record
ord-d340442d6c894b20b7e480d9cbc8702d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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