Acetate → HCID 18663606, compound

HRID 1560648Notes

Reaction equation

HRID 1560648 reaction equation
[C:20]([CH2:21][NH:22][C:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)=[O:30])(=[O:31])[OH:32].[CH3:34][C:35](=[O:36])[O-:37].[CH3:43][C:44]([O:45][C:46](=[O:47])[CH3:48])=[O:49].[Na+:33].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([CH:10]=[O:11])[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1.[OH2:50].[S:38](=[O:39])(=[O:40])([OH:41])[OH:42]>>[O:1]1[c:2]2[c:3]([cH:4][cH:5][cH:6][cH:7]2)[C:21]([C:20](=[O:31])[OH:32])=[CH:10][c:9]2[c:8]1[cH:15][c:14]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:12]2

Participants

8

Reactant 7

HCID 175AcetateHCID 464Hippuric AcidHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 18663603HCID 18663603, compound

Product 1

HCID 18663606HCID 18663606, compound

Sources & evidence

ORD record
ord-65f9f9602b6a4c21a6860349f4f28b6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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