Acetic Acid → HCID 178517826, compound

HRID 200778Notes

Reaction equation

HRID 200778 reaction equation
[CH3:27][CH2:28][OH:29].[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[n:3][c:4]([OH:10])[n:5][c:6]([NH:8][NH2:9])[n:7]1.[F:11][C:12]([c:13]1[cH:14][c:15]([CH:16]=[O:17])[cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]1)([F:25])[F:26]>>[Cl:1][c:2]1[n:3][c:4]([OH:10])[n:5][c:6]([NH:8][N:9]=[CH:16][c:15]2[cH:14][c:13]([C:12]([F:11])([F:25])[F:26])[cH:20][c:19]([C:21]([F:22])([F:23])[F:24])[cH:18]2)[n:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 702EthanolHCID 1362473,5-Bis(trifluoromethyl)benzaldehydeHCID 178514360HCID 178514360, compound

Product 1

HCID 178517826HCID 178517826, compound

Sources & evidence

ORD record
ord-494eca5eb2bb423493cf34601c3b8103
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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