Ethanethiol → 1-Ethylsulfanyl-4-hydroxy-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Cl:19])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH2:20]([CH3:21])[SH:22]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([S:22][CH2:20][CH3:21])[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
3
Sources & evidence
- ORD record
- ord-4c65b6cdf85842588942128b2038f9a6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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