Hydrochloric Acid → 3-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-3-oxo-N-(6-phenyl-pyridin-3-yl)-propionamide

HRID 1138946Notes

Reaction equation

HRID 1138946 reaction equation
[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:62][N:63]([c:64]1[cH:65][cH:66][n:67][cH:68][cH:69]1)[CH3:70].[Cl:1][c:2]1[c:3]([O:4][CH:5]2[CH2:6][CH2:7][N:8]([C:11]([CH2:12][C:13](=[O:14])[OH:15])=[O:16])[CH2:9][CH2:10]2)[cH:17][c:18]([F:21])[cH:19][cH:20]1.[ClH:43].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:71].[OH:22][n:23]1[c:24]2[c:25]([cH:26][cH:27][cH:28][cH:29]2)[n:30][n:31]1.[c:44]1(-[c:50]2[cH:51][cH:52][c:53]([NH2:56])[cH:54][n:55]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[Cl:1][c:2]1[c:3]([O:4][CH:5]2[CH2:6][CH2:7][N:8]([C:11]([CH2:12][C:13](=[O:15])[NH:56][c:53]3[cH:52][cH:51][c:50](-[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[n:55][cH:54]3)=[O:16])[CH2:9][CH2:10]2)[cH:17][c:18]([F:21])[cH:19][cH:20]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27628776-Phenylpyridin-3-amineHCID 578744413-[4-(2-Chloro-5-fluoro-phenoxy)-piperidin-1-yl]-3-oxo-propionic acid

Product 1

HCID 578744953-[4-(2-chloro-5-fluoro-phenoxy)-piperidin-1-yl]-3-oxo-N-(6-phenyl-pyridin-3-yl)-propionamide

Sources & evidence

ORD record
ord-c68ab9e462b140169703c55254802ab9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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