Acetic Acid → HCID 76462477, compound

HRID 1131941Notes

Reaction equation

HRID 1131941 reaction equation
[C:50]([OH:51])(=[O:52])[CH3:53].[Fe:49].[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[C:36]([CH3:42])([CH3:43])[C:37](=[O:41])[NH:38][CH2:39][CH2:40]3)[N:15]([c:18]3[n: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][n:23]3)[CH2:16][CH2:17]2)[s:8]1.[Na+:48].[O-:44][C:45]([OH:46])=[O:47]>>[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[C:36]([CH3:42])([CH3:43])[C:37](=[O:41])[NH:38][CH2:39][CH2:40]3)[N:15]([c:18]3[n: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][n:23]3)[CH2:16][CH2:17]2)[s:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 23925IronHCID 178429344HCID 178429344, compound

Product 1

HCID 76462477HCID 76462477, compound

Sources & evidence

ORD record
ord-0a1b3bda8b114688918e8ef149633297
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…