Acetone → 4-[(3-Chloropropyl)sulfanyl]-2-nitroaniline
Reaction equation
[BH4-:19].[CH3:14][N:15]([CH3:16])[CH:17]=[O:18].[CH3:27][C:28](=[O:29])[CH3:30].[Cl:21][CH2:22][CH2:23][CH2:24][Br:25].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([S:11][C:12]#[N:13])[cH:10]1.[Na+:20].[OH2:26]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([S:11][CH2:12][CH2:23][CH2:22][Cl:21])[cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-32a91717b941439583df97dd14bc45af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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