Acetic Acid → Acetic Acid

HRID 1137696Notes

Reaction equation

HRID 1137696 reaction equation
[Br:1][N:2]1[C:3](=[O:4])[CH2:5][CH2:6][C:7]1=[O:8].[C:29](=[O:30])([OH:31])[O-:32].[C:9]([CH3:10])(=[O:11])[OH:12].[CH3:13][N:14]1[CH:15]2[N:16]([CH3:28])[CH2:17][CH2:18][CH:19]([c:20]3[c:21]1[cH:22][cH:23][c:24]([OH:26])[cH:25]3)[CH2:27]2.[CH3:34][OH:35].[Cl:36][CH2:37][Cl:38].[Na+:33]>>[Br:1][c:22]1[c:21]2[c:20]([cH:25][c:24]([OH:26])[cH:23]1)[CH:19]1[CH2:18][CH2:17][N:16]([CH3:28])[CH:15]([N:14]2[CH3:13])[CH2:27]1.[C:9]([CH3:10])(=[O:11])[OH:12]

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 67184N-bromobutanimideHCID 15678877HCID 15678877, compound

Product 2

HCID 176Acetic AcidHCID 19782474HCID 19782474, compound

Sources & evidence

ORD record
ord-e40ce1090f0745dfbf08595d26232e76
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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