Acetic Acid → HCID 13850711, compound

HRID 180765Notes

Reaction equation

HRID 180765 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[Cl:1][c:2]1[c:3]([F:25])[cH:4][c:5]2[c:6](=[O:24])[c:7]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:8]3[n:9]([c:10]2[cH:11]1)[c:12]1[c:13]([s:14]3)[CH2:15][CH2:16][CH2:17][CH2:18]1.[Na+:27].[OH-:26].[OH2:32]>>[Cl:1][c:2]1[c:3]([F:25])[cH:4][c:5]2[c:6](=[O:24])[c:7]([C:19](=[O:20])[OH:21])[c:8]3[n:9]([c:10]2[cH:11]1)[c:12]1[c:13]([s:14]3)[CH2:15][CH2:16][CH2:17][CH2:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 13850712HCID 13850712, compound

Product 1

HCID 13850711HCID 13850711, compound

Sources & evidence

ORD record
ord-c31636ebf86f4396bc3bc4d45155e7e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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