Chloride → Ethyl 1-(2,2,2-trifluoro-1-(3-(trifluoromethyl)phenyl)ethyl)piperidine-4-carboxylate

HRID 213290Notes

Reaction equation

HRID 213290 reaction equation
[C:28]([BH3-:29])#[N:30].[C:32](=[O:33])([OH:34])[O-:35].[CH3:40][OH:41].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[Cl-:42].[Cl-:44].[Cl-:45].[Cl-:46].[Cl:37][CH2:38][Cl:39].[F:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)([F:15])[F:16].[NH:17]1[CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:26][CH2:27]1.[Na+:31].[Na+:36].[Ti+4:43]>>[F:1][C:2]([CH:3]([c:5]1[cH:6][c:7]([C:11]([F:12])([F:13])[F:14])[cH:8][cH:9][cH:10]1)[N:17]1[CH2:18][CH2:19][CH:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])[CH2:26][CH2:27]1)([F:15])[F:16]

Participants

13

Reactant 12

HCID 312Chloride4×HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 1140TolueneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 70770Ethyl 4-piperidinecarboxylateHCID 114942Titanium cation (4+)HCID 1365592,2,2-Trifluoro-3'-(trifluoromethyl)acetophenoneHCID 498716Cyano-borohydride

Product 1

HCID 86649627Ethyl 1-(2,2,2-trifluoro-1-(3-(trifluoromethyl)phenyl)ethyl)piperidine-4-carboxylate

Sources & evidence

ORD record
ord-29077b58f0244be4a553f15bbd965a28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…