HCID 21868383, compound → N-[2-(Benzothiazole-2-sulfonylamino)-ethyl]-N-{[6-N-(piperonyloxycarbonyl)-adenin-9-yl]-acetyl}-glycine ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][NH:6][CH2:7][CH2:8][NH:9][S:10](=[O:11])(=[O:12])[c:13]1[s:14][c:15]2[c:16]([n:17]1)[cH:18][cH:19][cH:20][cH:21]2)=[O:22].[CH2:23]([c:24]1[cH:25][c:26]2[c:30]([cH:31][cH:32]1)[O:29][CH2:28][O:27]2)[O:33][C:34](=[O:35])[NH:36][c:37]1[c:38]2[n:39][cH:40][n:41]([CH2:46][C:47](=[O:48])[OH:49])[c:42]2[n:43][cH:44][n:45]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([CH2:7][CH2:8][NH:9][S:10](=[O:11])(=[O:12])[c:13]1[s:14][c:15]2[c:16]([n:17]1)[cH:18][cH:19][cH:20][cH:21]2)[C:47]([CH2:46][n:41]1[cH:40][n:39][c:38]2[c:37]([NH:36][C:34]([O:33][CH2:23][c:24]3[cH:25][c:26]4[c:30]([cH:31][cH:32]3)[O:29][CH2:28][O:27]4)=[O:35])[n:45][cH:44][n:43][c:42]21)=[O:48])=[O:22]Participants
3
Sources & evidence
- ORD record
- ord-1a7412188488479b9fbdee9dcaac3204
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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