Acetic Acid → HCID 9829429, compound

HRID 200557Notes

Reaction equation

HRID 200557 reaction equation
[CH3:44][C:45](=[O:46])[OH:47].[CH3:48][CH2:49][OH:50].[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[cH:9][c:10]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[c:11](=[O:14])[c:12]3[cH:13]2)[c:28]([F:43])[c:29]1[N:30]1[CH2:31][CH2:32][N:33]([c:36]2[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]2)[CH2:34][CH2:35]1.[K+:52].[OH-:51]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]3[n:8](-[c:20]4[c:21]([F:27])[cH:22][c:23]([F:26])[cH:24][cH:25]4)[cH:9][c:10]([C:15](=[O:16])[OH:17])[c:11](=[O:14])[c:12]3[cH:13]2)[c:28]([F:43])[c:29]1[N:30]1[CH2:31][CH2:32][N:33]([c:36]2[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]2)[CH2:34][CH2:35]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 18549167HCID 18549167, compound

Product 1

HCID 9829429HCID 9829429, compound

Sources & evidence

ORD record
ord-15c218e26f3042c78d904f2c83604882
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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