Acetate → HCID 86737956, compound

HRID 210931Notes

Reaction equation

HRID 210931 reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:6]([c:21]2[cH:22][c:23]([N+:27](=[O:28])[O-:29])[cH:24][cH:25][cH:26]2)[C:5]([C:30](=[O:31])[O:32][CH2:33][CH3:34])=[C:4]([CH:35]=[O:36])[NH:3]1.[CH3:41][C:42](=[O:43])[O-:44].[CH3:45][C:46](=[O:47])[OH:48].[ClH:37].[NH2:38][OH:39].[Na+:40]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH:6]([c:21]2[cH:22][c:23]([N+:27](=[O:28])[O-:29])[cH:24][cH:25][cH:26]2)[C:5]([C:30](=[O:31])[O:32][CH2:33][CH3:34])=[C:4]([CH:35]=[N:38][OH:39])[NH:3]1

Participants

7

Reactant 6

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 923Sodium ionHCID 15665147HCID 15665147, compound

Product 1

HCID 86737956HCID 86737956, compound

Sources & evidence

ORD record
ord-2fae09fbf54941f3af6c0a3ab1a86201
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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