Hydrochloric Acid → 4-Amino-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid (4-ethyl-phenyl)-amide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[C:14]2([NH2:30])[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]3)[CH2:18][CH2:19]2)[cH:9][cH:10]1.[C:32]([O:33][C:34]([NH:35][C:36]1([C:37]([OH:38])=[O:39])[CH2:40][CH2:41][N:42]([S:43]([c:44]2[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]2)(=[O:51])=[O:52])[CH2:53][CH2:54]1)=[O:55])([CH3:56])([CH3:57])[CH3:58].[CH2:59]([c:60]1[cH:61][cH:62][c:63]([NH2:64])[cH:65][cH:66]1)[CH3:67].[ClH:31]>>[CH2:1]([CH3:2])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12](=[O:13])[C:14]2([NH2:30])[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[c:23]3[cH:24][cH:25][c:26]([CH3:29])[cH:27][cH:28]3)[CH2:18][CH2:19]2)[cH:9][cH:10]1Participants
5
Sources & evidence
- ORD record
- ord-0521a1a9efe643fcba425de2427c4d1d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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