Ethyl N-{2-[(1,3-benzothiazole-2-sulfonyl)amino]ethyl}glycinate → HCID 21868395, 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]2[c:16]([n:17]1)[cH:18][cH:19][cH:20][cH:21]2)=[O:22].[CH3:23][O:24][c:25]1[cH:26][c:27]([CH2:28][O:29][C:30](=[O:31])[NH:32][c:33]2[c:34]3[n:35][cH:36][n:37]([CH2:42][C:43](=[O:44])[OH:45])[c:38]3[n:39][cH:40][n:41]2)[cH:46][cH:47][c:48]1[O:49][CH3:50]>>[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:43]([CH2:42][n:37]1[cH:36][n:35][c:34]2[c:33]([NH:32][C:30]([O:29][CH2:28][c:27]3[cH:26][c:25]([O:24][CH3:23])[c:48]([O:49][CH3:50])[cH:47][cH:46]3)=[O:31])[n:41][cH:40][n:39][c:38]21)=[O:44])=[O:22]Participants
3
Sources & evidence
- ORD record
- ord-abbafaa343fe47ad9d018b396174d29d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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