Acetic Acid → HCID 69203328, compound

HRID 1130949Notes

Reaction equation

HRID 1130949 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[F:15][c:16]1[cH:17][cH:18][c:19]([O:34][CH3:35])[c:20]([C:22]([CH2:23][C:24]([CH:25]=[O:26])([C:27]([F:28])([F:29])[F:30])[OH:31])([CH3:32])[CH3:33])[cH:21]1.[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12](=[O:13])[NH2:14])[n:10][c:11]12>>[N:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C:12](=[O:13])[NH2:14])[n:10][c:11]12)=[CH:25][C:24]([CH2:23][C:22]([c:20]1[c:19]([O:34][CH3:35])[cH:18][cH:17][c:16]([F:15])[cH:21]1)([CH3:32])[CH3:33])([C:27]([F:28])([F:29])[F:30])[OH:31]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 1140TolueneHCID 115731224-(5-Fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanalHCID 66525410HCID 66525410, compound

Product 1

HCID 69203328HCID 69203328, compound

Sources & evidence

ORD record
ord-7688f8c6bdf04910ba280f79fe2892d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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