Acetic Acid → HCID 69019837, compound

HRID 184756Notes

Reaction equation

HRID 184756 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[Br:5].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:45][C:46](=[O:47])[OH:48].[NH2:6][c:7]1[c:8]([C:28](=[O:29])[c:30]2[cH:31][c:32]([Cl:36])[cH:33][cH:34][cH:35]2)[cH:9][c:10]([C:13]([c:14]2[cH:15][n:16][cH:17][n:18]2[CH3:19])([OH:20])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:11][cH:12]1.[Na+:44].[OH-:43]>>[Br:1][CH2:2][C:3](=[O:4])[NH:6][c:7]1[c:8]([C:28](=[O:29])[c:30]2[cH:31][c:32]([Cl:36])[cH:33][cH:34][cH:35]2)[cH:9][c:10]([C:13]([c:14]2[cH:15][n:16][cH:17][n:18]2[CH3:19])([OH:20])[c:21]2[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]2)[cH:11][cH:12]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 8857Ethyl AcetateHCID 61147Bromoacetyl bromideHCID 22714353HCID 22714353, compound

Product 1

HCID 69019837HCID 69019837, compound

Sources & evidence

ORD record
ord-167fab93737f401780c5eee6164f12ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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