Acetic Acid → HCID 86749641, compound

HRID 666073Notes

Reaction equation

HRID 666073 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([c:11]1[c:12]([CH2:21][O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:13][cH:14][cH:15][c:16]1[C:17]([F:18])([F:19])[F:20])[CH2:9][CH2:10]2.[OH2:30]>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([c:11]2[c:12]([CH2:21][O:22][CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:13][cH:14][cH:15][c:16]2[C:17]([F:18])([F:19])[F:20])[CH2:9][CH2:10]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 57305844HCID 57305844, compound

Product 1

HCID 86749641HCID 86749641, compound

Sources & evidence

ORD record
ord-5ee6be89f6784c98977abb522f007ce8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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