Acetic Acid → HCID 76462476, compound

HRID 154878Notes

Reaction equation

HRID 154878 reaction equation
[CH3:48][C:49](=[O:50])[OH:51].[Fe:47].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:34][N:35]3[CH:36]([CH3:41])[CH2:37][O:38][CH2:39][CH2:40]3)[N:15]([c:18]3[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:22][cH:23]3)[CH2:16][CH2:17]2)[s:8]1.[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([S:9](=[O:10])(=[O:11])[N:12]2[CH2:13][CH:14]([CH2:34][N:35]3[CH:36]([CH3:41])[CH2:37][O:38][CH2:39][CH2:40]3)[N:15]([c:18]3[cH:19][cH:20][c:21]([C:24]([C:25]([F:26])([F:27])[F:28])([C:29]([F:30])([F:31])[F:32])[OH:33])[cH:22][cH:23]3)[CH2:16][CH2:17]2)[s:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 23925IronHCID 178431599HCID 178431599, compound

Product 1

HCID 76462476HCID 76462476, compound

Sources & evidence

ORD record
ord-152b789704644a1ebbc95e1b448de728
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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