Hydrochloric Acid → 4-(4-Chloro-phenyl)-1-[1-(5,6-dimethyl-2-trifluoromethyl-pyrimidin-4-yl)-4-hydroxy-pyrrolidin-3-yl]-piperidin-4-ol

HRID 137346Notes

Reaction equation

HRID 137346 reaction equation
[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[Cl:22][c:23]1[n:24][c:25]([C:31]([F:32])([F:33])[F:34])[n:26][c:27]([CH3:30])[c:28]1[CH3:29].[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([OH:21])[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][NH:17][CH2:18][CH:19]3[OH:20])[CH2:13][CH2:14]2)[cH:7][cH:8]1.[ClH:1].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[Cl:2][c:3]1[cH:4][cH:5][c:6]([C:9]2([OH:21])[CH2:10][CH2:11][N:12]([CH:15]3[CH2:16][N:17]([c:23]4[n:24][c:25]([C:31]([F:32])([F:33])[F:34])[n:26][c:27]([CH3:30])[c:28]4[CH3:29])[CH2:18][CH:19]3[OH:20])[CH2:13][CH2:14]2)[cH:7][cH:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 27365034-Chloro-5,6-dimethyl-2-(trifluoromethyl)pyrimidineHCID 669679644-(4-Chlorophenyl)-1-(4-hydroxy-pyrrolidin-3-yl)-piperidin-4-ol

Product 1

HCID 586835724-(4-Chloro-phenyl)-1-[1-(5,6-dimethyl-2-trifluoromethyl-pyrimidin-4-yl)-4-hydroxy-pyrrolidin-3-yl]-piperidin-4-ol

Sources & evidence

ORD record
ord-44b63c12868e4b0989dba9031f051915
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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