Trifluoroacetic acid → 4-[1-oxo-7-(3-[1,2,4]Triazol-1-ylprop-1-ynyl)-1H-3,5,8-triazaisoquinolin-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[c:15](=[O:32])[c:16]3[n:17][c:18]([C:24]#[C:25][CH2:26][n:27]4[n:28][cH:29][n:30][cH:31]4)[cH:19][n:20][c:21]3[cH:22][n:23]2)[cH:11][cH:12]1)=[O:33].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40]>>[O:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([CH2:13][n:14]2[c:15](=[O:32])[c:16]3[n:17][c:18]([C:24]#[C:25][CH2:26][n:27]4[n:28][cH:29][n:30][cH:31]4)[cH:19][n:20][c:21]3[cH:22][n:23]2)[cH:11][cH:12]1)[OH:33]Participants
3
Sources & evidence
- ORD record
- ord-61eaed1608d3419b85f3c1c42df8ba27
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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