Trifluoroacetic acid → 1-(Benzothiazole-2-sulfonyl)-4-{[4-N-(4-methoxybenzyloxycarbonyl)-cytosin-1-yl]-acetyl}-piperazin-2-one
Reaction equation
[CH3:27][O:28][c:29]1[cH:30][cH:31][c:32]([CH2:33][O:34][C:35](=[O:36])[NH:37][c:38]2[n:39][c:40](=[O:48])[n:41]([CH2:44][C:45](=[O:46])[OH:47])[cH:42][cH:43]2)[cH:49][cH:50]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:45]([CH2:44][n:41]3[c:40](=[O:48])[n:39][c:38]([NH:37][C:35]([O:34][CH2:33][c:32]4[cH:31][cH:30][c:29]([O:28][CH3:27])[cH:50][cH:49]4)=[O:36])[cH:43][cH:42]3)=[O:46])[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-0ddf225daaf14c5ba6d33829ce8fc978
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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