Acetic Acid → HCID 10457822, compound

HRID 177738Notes

Reaction equation

HRID 177738 reaction equation
[CH3:27][N:28]1[CH2:29][CH2:30][C:31](=[O:34])[CH2:32][CH2:33]1.[CH3:35][C:36](=[O:37])[OH:38].[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([NH2:21])[n:8][cH:9][c:10](-[c:12]3[cH:13][c:14]4[cH:15][cH:16][nH:17][c:18]4[cH:19][cH:20]3)[cH:11]2)[c:22]([Cl:26])[cH:23][cH:24][cH:25]1.[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[Cl:1][c:2]1[c:3]([CH2:4][O:5][c:6]2[c:7]([NH2:21])[n:8][cH:9][c:10](-[c:12]3[cH:13][c:14]4[c:15]([C:31]5=[CH:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]5)[cH:16][nH:17][c:18]4[cH:19][cH:20]3)[cH:11]2)[c:22]([Cl:26])[cH:23][cH:24][cH:25]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 6422Trifluoroacetic acidHCID 740491-Methyl-4-piperidoneHCID 10475090HCID 10475090, compound

Product 1

HCID 10457822HCID 10457822, compound

Sources & evidence

ORD record
ord-ff437109d29c4ff09fc115fa5c0d22db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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