Acetic Acid → HCID 14839384, compound

HRID 153640Notes

Reaction equation

HRID 153640 reaction equation
[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:35](=[O:36])[OH:37])[c:6](=[O:34])[c:7]2[cH:8][c:9]([F:33])[c:10]([N:13]3[CH2:14][CH:15]([c:19]4[cH:20][n:21]([S:24]([c:25]5[cH:26][cH:27][cH:28][cH:29][cH:30]5)(=[O:31])=[O:32])[cH:22][cH:23]4)[NH:16][CH2:17][CH2:18]3)[cH:11][c:12]12.[CH3:46][C:47](=[O:48])[OH:49].[Na+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH-:38]>>[CH2:1]([CH3:2])[n:3]1[cH:4][c:5]([C:35](=[O:36])[OH:37])[c:6](=[O:34])[c:7]2[cH:8][c:9]([F:33])[c:10]([N:13]3[CH2:14][CH:15]([c:19]4[cH:20][nH:21][cH:22][cH:23]4)[NH:16][CH2:17][CH2:18]3)[cH:11][c:12]12

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 312751,4-DioxaneHCID 14839378HCID 14839378, compound

Product 1

HCID 14839384HCID 14839384, compound

Sources & evidence

ORD record
ord-74d096e578774432b5a4718966f79428
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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