Benzene → N-[3-(4,5,7-trifluorobenzothiazol-2-yl)-1-thioxopropyl]N-methylglycine ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([CH3:7])[C:8]([CH2:9][CH2:10][c:11]1[s:12][c:13]2[c:14]([n:15]1)[c:16]([F:22])[c:17]([F:21])[cH:18][c:19]2[F:20])=[O:23])=[O:24].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH:39]([O:40][CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[P:25]12(=[S:26])[S:27][P:28]3(=[S:38])[S:29][P:30](=[S:36])([S:31][P:32](=[S:35])([S:33]3)[S:34]1)[S:37]2.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([CH3:7])[C:8]([CH2:9][CH2:10][c:11]1[s:12][c:13]2[c:14]([n:15]1)[c:16]([F:22])[c:17]([F:21])[cH:18][c:19]2[F:20])=[S:26])=[O:24]Participants
6
Sources & evidence
- ORD record
- ord-0852593ddea9494cae1e8202e3f54a32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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