Dichloromethane → 1-(Tert-butoxycarbonyl)-4-[2-(4-chlorophenyl)ethynesulfonyl]piperazine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[CH2:17][C:18]([c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)=[O:26])[CH2:12][CH2:13]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:28][c:29]1[cH:30][cH:31][cH:32][cH:33][n+:34]1[CH3:35].[Cl:43][CH2:44][Cl:45].[I-:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([S:14](=[O:15])(=[O:16])[C:17]#[C:18][c:19]2[cH:20][cH:21][c:22]([Cl:25])[cH:23][cH:24]2)[CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-375e6732bd5242fd965e75f18b04f79d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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