1-(3-(Methylsulfonyl)propyl)piperazine → HCID 178466514, compound
Reaction equation
[CH3:38][S:39](=[O:40])(=[O:41])[CH2:42][CH2:43][CH2:44][N:45]1[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]1.[Cl:1][c:2]1[c:3]([C:33]([CH3:34])([CH3:35])[C:36]#[N:37])[cH:4][c:5]([O:30][CH2:31][CH3:32])[c:6]([C:8]2=[N:12][CH:11]([c:13]3[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[CH:10]([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[N:9]2[C:27](=[O:28])[Cl:29])[cH:7]1>>[Cl:1][c:2]1[c:3]([C:33]([CH3:34])([CH3:35])[C:36]#[N:37])[cH:4][c:5]([O:30][CH2:31][CH3:32])[c:6]([C:8]2=[N:12][CH:11]([c:13]3[cH:14][cH:15][c:16]([Cl:19])[cH:17][cH:18]3)[CH:10]([c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[N:9]2[C:27](=[O:28])[N:48]2[CH2:47][CH2:46][N:45]([CH2:44][CH2:43][CH2:42][S:39]([CH3:38])(=[O:40])=[O:41])[CH2:50][CH2:49]2)[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-568f5a254941424593c554ba00052675
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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