1-(Oxan-4-yl)piperazine → HCID 68674647, compound
Reaction equation
[Cl:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][C:11]([N:12]2[CH2:13][CH2:14][CH:15]([N:18]3[C:19](=[O:29])[NH:20][c:21]4[c:22]([cH:25][cH:26][cH:27][cH:28]4)[CH2:23][CH2:24]3)[CH2:16][CH2:17]2)=[O:30])[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[c:33]1[OH:34].[O:39]1[CH2:40][CH2:41][CH:42]([N:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[CH2:43][CH2:44]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]([C:7](=[O:9])[N:48]2[CH2:47][CH2:46][N:45]([CH:42]3[CH2:41][CH2:40][O:39][CH2:44][CH2:43]3)[CH2:50][CH2:49]2)[CH2:10][C:11]([N:12]2[CH2:13][CH2:14][CH:15]([N:18]3[C:19](=[O:29])[NH:20][c:21]4[c:22]([cH:25][cH:26][cH:27][cH:28]4)[CH2:23][CH2:24]3)[CH2:16][CH2:17]2)=[O:30])[cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[c:33]1[OH:34]Participants
3
Sources & evidence
- ORD record
- ord-e4d135a4948e4aad8766579d7e72b82c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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