1,2-Dichloroethane → 2-(9-fluoro-5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-3-methyl-N-(2-methylsulfonylethyl)butanamide
Reaction equation
[CH2:40]([Cl:41])[CH2:42][Cl:43].[CH3:23][S:24](=[O:25])(=[O:26])[CH2:27][CH2:28][NH2:29].[CH3:44][N:45]([CH3:46])[c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1.[ClH:22].[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:14])[OH:15])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13.[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH:30][n:31]1[c:32]2[c:33]([cH:34][cH:35][cH:36][cH:37]2)[n:38][n:39]1>>[F:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:20][nH:21]2)[C:8](=[O:19])[N:9]([CH:12]([C:13](=[O:15])[NH:29][CH2:28][CH2:27][S:24]([CH3:23])(=[O:25])=[O:26])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-6802c53e838548d8bdf28794f4841e69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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