Trifluoroacetic acid → 1-(Benzothiazole-2-sulfonyl)-4-{[2-N-(4-methoxybenzyloxycarbonyl)-guanin-9-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[nH:39][c:40](=[O:51])[c:41]3[n:42][cH:43][n:44]([CH2:47][C:48](=[O:49])[OH:50])[c:45]3[n:46]2)[cH:52][cH:53]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:48]([CH2:47][n:44]3[cH:43][n:42][c:41]4[c:40](=[O:51])[nH:39][c:38]([NH:37][C:35]([O:34][CH2:33][c:32]5[cH:31][cH:30][c:29]([O:28][CH3:27])[cH:53][cH:52]5)=[O:36])[n:46][c:45]43)=[O:49])[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-e35d0765f04b43f0b522ff7ad8dc4e87
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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