N-{2-[5-(4-chloro-2-nitrophenyl)-1,3,4-thiadiazole-2-sulfonylamino]-ethyl}-glycine ethyl ester → HCID 21092786, 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].[CH2:29]([c:30]1[cH:31][c:32]2[c:36]([cH:37][cH:38]1)[O:35][CH2:34][O:33]2)[O:39][C:40](=[O:41])[NH:42][c:43]1[n:44][c:45](=[O:53])[n:46]([CH2:49][C:50](=[O:51])[OH:52])[cH:47][cH:48]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:46]1[c:45](=[O:53])[n:44][c:43]([NH:42][C:40]([O:39][CH2:29][c:30]2[cH:31][c:32]3[c:36]([cH:37][cH:38]2)[O:35][CH2:34][O:33]3)=[O:41])[cH:48][cH:47]1)=[O:51])=[O:28]Participants
3
Sources & evidence
- ORD record
- ord-ce9b02d9150a4cd6a9b6e0173838e82c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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