1,2-Dichloroethane → N-(cyanomethyl)-2-(9-fluoro-5-oxo-2,6,11-triazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-6-yl)-N,3-dimethylbutanamide
Reaction equation
[CH2:33]([Cl:34])[CH2:35][Cl:36].[CH3:38][NH:39][CH2:40][C:41]#[N:42].[CH3:43][N:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[ClH:37].[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:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:32].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]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])[N:39]([CH3:38])[CH2:40][C:41]#[N:42])[CH:16]([CH3:17])[CH3:18])[CH2:10][c:11]13Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-5e3fcf2c6cf940c990728670a292e326
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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