Hydrochloric Acid → 4,4-difluoro-1-{4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetra-hydropyran-4-ylmethyl}piperidine

HRID 134844

Reaction equation

HRID 134844 reaction equation
[CH3:33][CH:34]([CH3:35])[O-:36].[CH3:38][CH:39]([CH3:40])[O-:41].[CH3:42][CH:43]([CH3:44])[O-:45].[CH3:46][CH:47]([CH3:48])[O-:49].[CH3:50][CH2:51][OH:52].[ClH:24].[F:25][C:26]1([F:32])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH:22]=[O:23])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Ti+4:37]>>[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH2:22][N:29]4[CH2:28][CH2:27][C:26]([F:25])([F:32])[CH2:31][CH2:30]4)[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 702EthanolHCID 114942Titanium cation (4+)HCID 27583524,4-DifluoropiperidineHCID 3260420Isopropanolate4×HCID 598374274-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-carbaldehyde

Product 1

HCID 234313674,4-difluoro-1-{4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetra-hydropyran-4-ylmethyl}piperidine

Sources & evidence

ORD record
ord-d55431e3014241479bcdd1e16e27b359
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…