Acetate → HCID 178463403, compound

HRID 2328463Notes

Reaction equation

HRID 2328463 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([CH3:9])[c:10]1[nH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[n:14]1)([CH3:5])([CH3:6])[CH3:22].[C:49]([OH:50])(=[O:51])[CH3:52].[CH3:24][C:25](=[O:26])[O-:27].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F:29][c:30]1[cH:31][cH:32][c:33]([C:34]([CH:35]=[O:36])=[O:37])[cH:38][cH:39]1.[NH4+:23].[NH4+:41].[OH-:40].[OH2:28].[OH2:48]>>[NH2:7][CH:8]([CH3:9])[c:10]1[nH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[n:14]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 223Ammonium2×HCID 961HydroxideHCID 962Water2×HCID 8857Ethyl AcetateHCID 101249(4-Fluorophenyl)glyoxalHCID 178465438HCID 178465438, compound

Product 1

HCID 178463403HCID 178463403, compound

Sources & evidence

ORD record
ord-6c962c2ce1bd46d9bb62f57eb82e4409
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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