Acetic Acid → HCID 25130138, compound

HRID 673419Notes

Reaction equation

HRID 673419 reaction equation
[Br-:20].[Br-:21].[Br-:22].[BrH:41].[C:42]([OH:43])(=[O:44])[CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:18][CH3:19])[c:6]([NH:8][c:9]2[s:10][c:11]([C:15]([CH3:16])=[O:17])[c:12]([CH3:14])[n:13]2)[cH:7]1.[nH+:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[nH+:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[nH+:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:18][CH3:19])[c:6]([NH:8][c:9]2[s:10][c:11]([C:15]([CH2:16][Br:20])=[O:17])[c:12]([CH3:14])[n:13]2)[cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 259Bromide ion3×HCID 260Hydrogen BromideHCID 4306769HCID 4306769, compoundHCID 4989215Pyridinium3×

Product 1

HCID 25130138HCID 25130138, compound

Sources & evidence

ORD record
ord-e1bcd9ed209c457086f28a990db4f719
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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