Trifluoroacetic acid → 1-(5-Chloro-benzothiazole-2-sulfonyl)-4-{[4-N-(benzhydryloxycarbonyl)-cytosin-1-yl]-acetyl}-piperazin-2-one
Reaction equation
[CH:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][C:42](=[O:43])[NH:44][c:45]1[n:46][c:47](=[O:55])[n:48]([CH2:51][C:52](=[O:53])[OH:54])[cH:49][cH:50]1.[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([n:14][c:15]([S:17](=[O:18])(=[O:19])[N:20]3[C:21](=[O:26])[CH2:22][NH:23][CH2:24][CH2:25]3)[s:16]2)[cH:27]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[Cl:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([n:14][c:15]([S:17](=[O:18])(=[O:19])[N:20]3[C:21](=[O:26])[CH2:22][N:23]([C:52]([CH2:51][n:48]4[c:47](=[O:55])[n:46][c:45]([NH:44][C:42]([O:41][CH:28]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)=[O:43])[cH:50][cH:49]4)=[O:53])[CH2:24][CH2:25]3)[s:16]2)[cH:27]1Participants
4
Sources & evidence
- ORD record
- ord-c3bddfe3537c4c508ab15d7a90bd4cde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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