Acetic Acid → HCID 10093902, compound

HRID 104242Notes

Reaction equation

HRID 104242 reaction equation
[C:34]([OH:35])([CH3:36])([CH3:37])[CH3:38].[CH3:42][C:43](=[O:44])[OH:45].[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:32])[c:6]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[c:7]3[n:8]([c:9]2[cH:10][c:11]1[N:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[CH:19]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[S:20]3.[K+:40].[OH-:39].[OH2:33].[OH2:41]>>[F:1][c:2]1[cH:3][c:4]2[c:5](=[O:32])[c:6]([C:27](=[O:28])[OH:29])[c:7]3[n:8]([c:9]2[cH:10][c:11]1[N:12]1[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]1)[CH:19]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[S:20]3

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 813Potassium CationHCID 961HydroxideHCID 962Water2×HCID 6386tert-ButanolHCID 10343900HCID 10343900, compound

Product 1

HCID 10093902HCID 10093902, compound

Sources & evidence

ORD record
ord-45afd4b64b4444f4bcd1a489fcfe293f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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