Acetate → HCID 86600712, compound

HRID 1123858Notes

Reaction equation

HRID 1123858 reaction equation
[CH3:37][C:38](=[O:39])[O-:40].[CH3:41][CH2:42][OH:43].[ClH:33].[F:1][c:2]1[cH:3][c:4]([C:30]([CH3:31])=[O:32])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[c:16]([O:25][CH:26]([CH3:27])[CH3:28])[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:20]2)=[O:29])[CH2:12][CH2:13]1.[NH2:34][OH:35].[Na+:36].[OH2:44]>>[F:1][c:2]1[cH:3][c:4]([C:30]([CH3:31])=[N:34][OH:35])[cH:5][cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:14]([c:15]2[c:16]([O:25][CH:26]([CH3:27])[CH3:28])[cH:17][cH:18][c:19]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:20]2)=[O:29])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 923Sodium ionHCID 962WaterHCID 11488045HCID 11488045, compound

Product 1

HCID 86600712HCID 86600712, compound

Sources & evidence

ORD record
ord-de7ccba37007479abcedfd48d046e13c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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