Acetic Acid → HCID 21948868, compound

HRID 1548123Notes

Reaction equation

HRID 1548123 reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH:11]=[O:12])([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1.[NH2:22][c:23]1[c:24]2[cH:25][cH:26][nH:27][c:28](=[O:33])[c:29]2[cH:30][cH:31][cH:32]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH3:21])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:22][c:23]2[c:24]3[cH:25][cH:26][nH:27][c:28](=[O:33])[c:29]3[cH:30][cH:31][cH:32]2)([C:13]([F:14])([F:15])[F:16])[OH:17])([CH3:18])[CH3:19])[cH:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 20725-aminoisoquinolin-1(2H)-oneHCID 115731224-(5-Fluoro-2-methoxy-phenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanal

Product 1

HCID 21948868HCID 21948868, compound

Sources & evidence

ORD record
ord-039250a661984e1581ef3e014d7856f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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