Bicarbonate Ion → 1-(2,2-Diphenylethyl)-4-[4-(methylsulfonyl)benzyl]homopiperazine
Reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15][CH2:16]2)[cH:17][cH:18]1.[Cl:53][CH2:54][Cl:55].[Na+:47].[Na+:48].[OH:49][C:50](=[O:51])[O-:52].[c:19]1([CH:25]([CH:26]=[O:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[CH2:11][CH2:12][N:13]([CH2:26][CH:25]([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:14][CH2:15][CH2:16]2)[cH:17][cH:18]1Participants
7
Sources & evidence
- ORD record
- ord-5ea4f62d296d4bfdb4b19a2af3f89857
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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