Acetic Acid → HCID 86738817, compound

HRID 2137738Notes

Reaction equation

HRID 2137738 reaction equation
[C:36]([O-:37])([CH3:38])([CH3:39])[CH3:40].[C:48]([OH:49])([CH3:50])([CH3:51])[CH3:52].[CH3:42][I:43].[CH3:44][C:45](=[O:46])[OH:47].[F:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7]([NH:15][C:16](=[O:17])[C:18]([CH3:19])([CH3:20])[NH:21][C:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:8][cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)[cH:32][cH:33][cH:34][cH:35]1.[K+:41]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[c:7]([N:15]([C:16](=[O:17])[C:18]([CH3:19])([CH3:20])[NH:21][C:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[CH3:36])[cH:8][cH:9][c:10]([N+:12](=[O:13])[O-:14])[cH:11]2)[cH:32][cH:33][cH:34][cH:35]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 813Potassium CationHCID 6328Methyl iodideHCID 6386tert-ButanolHCID 45749132-Methylpropan-2-olateHCID 54387463HCID 54387463, compound

Product 1

HCID 86738817HCID 86738817, compound

Sources & evidence

ORD record
ord-4d13b5434c954651bbffe10ac1f6b1b6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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