Water → 1-[2-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-(4-chloro-phenyl)-ethyl]-piperidine-4-carboxylic acid cyclohexylamide

HRID 664758Notes

Reaction equation

HRID 664758 reaction equation
[CH2:8]([P:9]([OH:10])([OH:11])=[O:12])[CH2:13][CH3:14].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:59][N:60]([c:61]1[cH:62][cH:63][n:64][cH:65][cH:66]1)[CH3:67].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([C:23](=[O:24])[OH:25])[N:26]2[CH2:27][CH2:28][CH:29]([C:32]([NH:33][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)=[O:40])[CH2:30][CH2:31]2)[cH:20][cH:21]1.[F:41][C:42]([c:43]1[cH:44][c:45]([S:53](=[O:54])(=[O:55])[NH2:56])[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:57])[F:58].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73]>>[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH:22]([C:23](=[O:24])[NH:56][S:53]([c:45]2[cH:44][c:43]([C:42]([F:41])([F:57])[F:58])[cH:48][c:47]([C:49]([F:50])([F:51])[F:52])[cH:46]2)(=[O:54])=[O:55])[N:26]2[CH2:27][CH2:28][CH:29]([C:32]([NH:33][CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]3)=[O:40])[CH2:30][CH2:31]2)[cH:20][cH:21]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 204484Propylphosphonic acidHCID 27831653,5-bis(trifluoromethyl)benzenesulfonamideHCID 68443812(4-Chlorophenyl)-(4-cyclohexylcarbamoyl-piperidin1-yl)-acetic acid

Product 1

HCID 865970991-[2-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-(4-chloro-phenyl)-ethyl]-piperidine-4-carboxylic acid cyclohexylamide

Sources & evidence

ORD record
ord-b5998fa349354259920e8b16ed545e84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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