Trifluoroacetic acid → 4-[3-Oxo-7-(3-phenyl-prop-1-ynyl)-2H-isoquinolin-2-ylmethyl]benzoic Acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[cH:15][c:16]3[cH:17][c:18]([C:25]#[C:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:19][cH:20][c:21]3[cH:22][c:23]2=[O:24])[cH:11][cH:12]1)=[O:34].[OH:35][C:36]([C:37]([F:38])([F:39])[F:40])=[O:41]>>[O:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[cH:15][c:16]3[cH:17][c:18]([C:25]#[C:26][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:19][cH:20][c:21]3[cH:22][c:23]2=[O:24])[cH:11][cH:12]1)[OH:34]Participants
3
Sources & evidence
- ORD record
- ord-2cefb30eb5b44345b1324907e2ad90c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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