1-Butanol → 1-Piperazinebutanenitrile, 4-(2-pyrimidinyl)-
Reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]([OH:52])[CH2:53][CH2:54][CH3:55].[Cl:39][CH2:40][CH2:41][CH2:42][C:43]#[N:44].[Na+:49].[Na+:50].[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][CH2:15][CH2:16][N:17]3[CH2:18][CH2:19][C:20]4([CH2:21][CH2:22][CH2:23][CH2:24]4)[CH2:25][CH2:26]3)[CH2:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1.[n:27]1[cH:28][cH:29][cH:30][n:31][c:32]1[N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1>>[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][CH2:15][C:16]#[N:17])[CH2:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-ed67ddc6c05e4672a8ea7de4d640ac19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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