N-{2-[5-(4-chloro-2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-glycine ethyl ester → HCID 21092788, compound
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](-[c:18]2[c:19]([N+:25](=[O:26])[O-:27])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[n:16][n:17]1)=[O:28].[CH3:29][O:30][c:31]1[cH:32][cH:33][c:34]([CH2:35][O:36][C:37](=[O:38])[NH:39][c:40]2[c:41]3[n:42][cH:43][n:44]([CH2:49][C:50](=[O:51])[OH:52])[c:45]3[n:46][cH:47][n:48]2)[cH:53][cH:54]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](-[c:18]2[c:19]([N+:25](=[O:26])[O-:27])[cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[n:16][n:17]1)[C:50]([CH2:49][n:44]1[cH:43][n:42][c:41]2[c:40]([NH:39][C:37]([O:36][CH2:35][c:34]3[cH:33][cH:32][c:31]([O:30][CH3:29])[cH:54][cH:53]3)=[O:38])[n:48][cH:47][n:46][c:45]21)=[O:51])=[O:28]Participants
3
Sources & evidence
- ORD record
- ord-a6a8152be24449a5b7a64ba2db7366ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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