Trifluoroacetic acid → 1-(Benzothiazole-2-sulfonyl)-4-{[4-N-(2-methylthioethoxycarbonyl)-cytosin-1-yl]-acetyl}-piperazin-2-one
Reaction equation
[CH3:27][S:28][CH2:29][CH2:30][O:31][C:32](=[O:33])[NH:34][c:35]1[n:36][c:37](=[O:45])[n:38]([CH2:41][C:42](=[O:43])[OH:44])[cH:39][cH:40]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][NH:23][CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2>>[s:8]1[c:9]([S:17](=[O:18])(=[O:19])[N:20]2[C:21](=[O:26])[CH2:22][N:23]([C:42]([CH2:41][n:38]3[c:37](=[O:45])[n:36][c:35]([NH:34][C:32]([O:31][CH2:30][CH2:29][S:28][CH3:27])=[O:33])[cH:40][cH:39]3)=[O:43])[CH2:24][CH2:25]2)[n:10][c:11]2[c:12]1[cH:13][cH:14][cH:15][cH:16]2Participants
4
Sources & evidence
- ORD record
- ord-925e4ecad0584d8db66db059fbfdc7a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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