Acetate → HCID 178516230, compound

HRID 2327660Notes

Reaction equation

HRID 2327660 reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[Cl:1][c:2]1[n:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1.[K+:29].[O-:25][C:26]([CH3:27])=[O:28].[OH2:34]>>[c:2]1([OH:25])[n:3][n:4][c:5]([N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:15]3[c:16]([C:21]([F:22])([F:23])[F:24])[cH:17][cH:18][cH:19][cH:20]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 175AcetateHCID 176Acetic AcidHCID 813Potassium CationHCID 962WaterHCID 57647129HCID 57647129, compound

Product 1

HCID 178516230HCID 178516230, compound

Sources & evidence

ORD record
ord-2563b591b4c14c1f9f0ad6d63f2f3803
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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