Pyridine → 3,3,3-Trifluoropropane-1-sulfonic acid 4-[1-(2-chloro-4-fluorophenyl)-3-methyl-4-oxo-5-piperidin-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl ester

HRID 2321575Notes

Reaction equation

HRID 2321575 reaction equation
[Cl:1][c:2]1[c:3](-[n:9]2[c:10](-[c:26]3[cH:27][cH:28][c:29]([OH:32])[cH:30][cH:31]3)[c:11]([CH3:25])[c:12]3[c:17]2[CH2:16][CH2:15][N:14]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:13]3=[O:24])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[F:33][C:34]([CH2:35][CH2:36][S:37](=[O:38])(=[O:39])[Cl:40])([F:41])[F:42].[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[Cl:1][c:2]1[c:3](-[n:9]2[c:10](-[c:26]3[cH:27][cH:28][c:29]([O:32][S:37]([CH2:36][CH2:35][C:34]([F:33])([F:41])[F:42])(=[O:38])=[O:39])[cH:30][cH:31]3)[c:11]([CH3:25])[c:12]3[c:17]2[CH2:16][CH2:15][N:14]([N:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:13]3=[O:24])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

4

Reactant 3

HCID 1049PyridineHCID 27611773,3,3-Trifluoropropane-1-sulfonyl chlorideHCID 166661661-(2-Chloro-4-fluoro-phenyl)-2-(4-hydroxy-phenyl)-3-methyl-5-piperidin-yl-1,5,6,7-tetrahydro-pyrrolo[3,2-c]pyridin-4-one

Product 1

HCID 166660063,3,3-Trifluoropropane-1-sulfonic acid 4-[1-(2-chloro-4-fluorophenyl)-3-methyl-4-oxo-5-piperidin-1-yl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]phenyl ester

Sources & evidence

ORD record
ord-86673c8a1df6496d9783fa6534865f51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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