1,2-Dichloroethane → Bis(4-fluorophenyl)methyl quinuclidine-3-carboxylate

HRID 188889

Reaction equation

HRID 188889 reaction equation
[CH2:13]([Cl:14])[CH2:15][Cl:16].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[CH:43]([N:44]([CH2:45][CH3:46])[CH:47]([CH3:48])[CH3:49])([CH3:50])[CH3:51].[ClH:1].[F:27][c:28]1[cH:29][cH:30][c:31]([CH:34]([OH:35])[c:36]2[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]2)[cH:32][cH:33]1.[N:2]12[CH2:3][CH:4]([C:10](=[O:11])[OH:12])[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2.[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:17][n:18]1[c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[n:25][n:26]1>>[N:2]12[CH2:3][CH:4]([C:10](=[O:11])[O:12][CH:34]([c:31]3[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]3)[c:36]3[cH:37][cH:38][c:39]([F:42])[cH:40][cH:41]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2

Participants

11

Reactant 10

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 1230494,4'-Difluorobenzhydryl alcoholHCID 2832202Quinuclidine-3-carboxylic acid

Product 1

HCID 70925939Bis(4-fluorophenyl)methyl quinuclidine-3-carboxylate

Sources & evidence

ORD record
ord-4c177fc8a3904e09aa4ff5d2353208ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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