Acetate → HCID 44601271, compound

HRID 692472Notes

Reaction equation

HRID 692472 reaction equation
[CH3:36][C:37](=[O:38])[O-:39].[F:1][c:2]1[cH:3][c:4]([CH2:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1.[Na+:34].[Na+:35].[OH-:33].[OH2:32]>>[F:1][c:2]1[cH:3][c:4]([CH2:26][CH2:27][C:28](=[O:29])[OH:30])[cH:5][cH:6][c:7]1-[c:8]1[s:9][c:10]2[n:11][c:12]([C:17]3([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[CH2:18][CH2:19]3)[cH:13][cH:14][c:15]2[n:16]1

Participants

6

Reactant 5

HCID 175AcetateHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 67111689HCID 67111689, compound

Product 1

HCID 44601271HCID 44601271, compound

Sources & evidence

ORD record
ord-7f3c0d349d784408936b251ab1246e98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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