Acetic Acid → HCID 18523349, compound

HRID 181572Notes

Reaction equation

HRID 181572 reaction equation
[CH3:42][C:43](=[O:44])[OH:45].[CH3:46][CH2:47][OH:48].[F:3][c:4]1[c:5]([N:25]2[CH2:26][CH2:27][C:28]([c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)([OH:41])[CH2:29][CH2:30]2)[cH:6][cH:7][c:8]2[c:9]3[c:10](=[O:24])[c:11]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:12][n:13]([CH3:18])[c:14]3[cH:15][n:16][c:17]12.[K+:2].[OH-:1].[OH2:49]>>[F:3][c:4]1[c:5]([N:25]2[CH2:26][CH2:27][C:28]([c:31]3[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]3)([OH:41])[CH2:29][CH2:30]2)[cH:6][cH:7][c:8]2[c:9]3[c:10](=[O:24])[c:11]([C:19](=[O:20])[OH:21])[cH:12][n:13]([CH3:18])[c:14]3[cH:15][n:16][c:17]12

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 18523277HCID 18523277, compound

Product 1

HCID 18523349HCID 18523349, compound

Sources & evidence

ORD record
ord-bd9df184c4a244319f8635c2d389cbee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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