Acetic Acid → 6-tert-Butyl-5-mercapto-1H-indole-2-carboxylic acid ethyl ester
Reaction equation
[BH4-:24].[C:28]([OH:29])(=[O:30])[CH3:31].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[cH:9][c:10]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:11]([S:15][C:16]#[N:17])[cH:12][c:13]2[cH:14]1.[CH3:26][OH:27].[Na+:25].[Na:23].[SH2:22]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[nH:7][c:8]2[cH:9][c:10]([C:18]([CH3:19])([CH3:20])[CH3:21])[c:11]([SH:15])[cH:12][c:13]2[cH:14]1Participants
8
Sources & evidence
- ORD record
- ord-e2818438d000424382db653b8f6cdbc8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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