Acetonitrile → N-BOC-4-(phenylethynyl)piperidine
Reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13](=[O:14])[N:15]1[CH2:16][CH2:17][CH:18]([C:21]#[CH:22])[CH2:19][CH2:20]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:30][C:31]#[N:32].[I:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[Pd:33]([Cl:34])[Cl:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[c:2]1([C:22]#[C:21][CH:18]2[CH2:17][CH2:16][N:15]([C:13]([O:12][C:8]([CH3:9])([CH3:10])[CH3:11])=[O:14])[CH2:20][CH2:19]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-321a6c0eff504e828fbe821a0e4b140d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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