Acetic Acid → HCID 67316096, compound

HRID 165751Notes

Reaction equation

HRID 165751 reaction equation
[BrH:38].[CH3:39][C:40](=[O:41])[OH:42].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([O:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][cH:32][c:33]([O:36][CH3:37])[n:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1.[Na+:44].[OH-:43]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10][c:11]([NH:18][c:19]3[cH:20][cH:21][c:22]([O:25][c:26]4[cH:27][cH:28][n:29][c:30]5[cH:31][cH:32][c:33](=[O:36])[nH:34][c:35]45)[cH:23][cH:24]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium ionHCID 961HydroxideHCID 67318157HCID 67318157, compound

Product 1

HCID 67316096HCID 67316096, compound

Sources & evidence

ORD record
ord-97ac1076557e4e698c83d85326713bb8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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