Acetic Acid → HCID 86615560, compound

HRID 1115129Notes

Reaction equation

HRID 1115129 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([NH:7][C:8]([c:9]2[cH:10][c:11]([N+:23]([O-:24])=[O:25])[c:12]([S:15][c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[cH:13][cH:14]2)=[O:26])[s:6]1.[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][CH2:38][OH:39].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Fe:47].[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[OH2:40]>>[Br:1][c:2]1[cH:3][n:4][c:5]([NH:7][C:8]([c:9]2[cH:10][c:11]([NH2:23])[c:12]([S:15][c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[cH:13][cH:14]2)=[O:26])[s:6]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23925IronHCID 86615559HCID 86615559, compound

Product 1

HCID 86615560HCID 86615560, compound

Sources & evidence

ORD record
ord-720ee228ab5b4876833165951a7bd975
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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