Water → 4'-[2-(2-Chloro-4-trifluoromethanesulfonyloxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid ethyl ester

HRID 1225618Notes

Reaction equation

HRID 1225618 reaction equation
[CH2:31]([CH3:32])[O:33][C:34](=[O:35])[CH:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1.[CH3:42][N:43]1[CH2:44][CH2:45][CH2:46][C:47]1=[O:48].[Cl:1][c:2]1[cH:3][c:4]([O:23][S:24](=[O:25])(=[O:26])[C:27]([F:28])([F:29])[F:30])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([Cl:21])[n:18][cH:19][cH:20]1)[CH3:22].[OH2:49]>>[Cl:1][c:2]1[cH:3][c:4]([O:23][S:24](=[O:25])(=[O:26])[C:27]([F:28])([F:29])[F:30])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([N:39]2[CH2:38][CH2:37][CH:36]([C:34]([O:33][CH2:31][CH3:32])=[O:35])[CH2:41][CH2:40]2)[n:18][cH:19][cH:20]1)[CH3:22]

Participants

5

Reactant 4

HCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 70770Ethyl 4-piperidinecarboxylateHCID 86629107Trifluoro-methanesulfonic acid 3-chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-phenyl ester

Product 1

HCID 866291084'-[2-(2-Chloro-4-trifluoromethanesulfonyloxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-4-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-976313c5a2584b06b3b3448265aeac6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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