2-(Isoquinolin-5-YL)acetic acid → HCID 46868994, compound
Reaction equation
[CH3:15][O:16][c:17]1[s:18][cH:19][c:20](-[c:22]2[s:23][cH:24][cH:25][c:26]2[NH2:27])[n:21]1.[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([CH2:11][C:12](=[O:13])[OH:14])[cH:7][cH:8][cH:9][c:10]12>>[cH:1]1[n:2][cH:3][cH:4][c:5]2[c:6]([CH2:11][C:12](=[O:14])[NH:27][c:26]3[c:22](-[c:20]4[cH:19][s:18][c:17]([O:16][CH3:15])[n:21]4)[s:23][cH:24][cH:25]3)[cH:7][cH:8][cH:9][c:10]12Participants
3
Sources & evidence
- ORD record
- ord-038140648682422789ca5617d9e895a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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