Thionyl Chloride → 8-alpha-Chloroethylcaffeine
Reaction equation
[OH:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[n:7]([CH3:17])[c:8](=[O:16])[n:9]([CH3:10])[c:11](=[O:15])[c:12]2[n:13]1[CH3:14].[S:18]([Cl:19])([Cl:20])=[O:21]>>[CH:2]([CH3:3])([c:4]1[n:5][c:6]2[n:7]([CH3:17])[c:8](=[O:16])[n:9]([CH3:10])[c:11](=[O:15])[c:12]2[n:13]1[CH3:14])[Cl:20]Participants
3
Sources & evidence
- ORD record
- ord-3a552fe93190420dbe5713ded06b07b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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