DL-alanine → 2-[(4-Hydroxy-7-phenylsulfanylisoquinoline-3-carbonyl)amino]propanoic acid
Reaction equation
[CH2:1]([O:2][C:6](=[O:7])[c:8]1[n:9][cH:10][c:11]2[cH:12][c:13]([S:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18])[CH2:3][CH2:4][CH3:5].[NH2:26][CH:27]([CH3:28])[C:29](=[O:30])[OH:31]>>[C:6](=[O:7])([c:8]1[n:9][cH:10][c:11]2[cH:12][c:13]([S:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18])[NH:26][CH:27]([CH3:28])[C:29](=[O:30])[OH:31]Participants
3
Sources & evidence
- ORD record
- ord-e8e2d15618f54c63b7d7bcb6828a7e6a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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