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1,2-Dichloroethane → (3,4-Difluorophenyl)(phenyl)methyl quinuclidine-3-carboxylate

HRID 2139659
Notes
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Reaction equation

HRID 2139659 reaction equation
[CH2:13]([Cl:14])[CH2:15][Cl:16].[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[ClH:1].[F:27][c:28]1[cH:29][c:30]([CH:35]([OH:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:31][cH:32][c:33]1[F:34].[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.[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:35]([c:30]3[cH:29][c:28]([F:27])[c:33]([F:34])[cH:32][cH:31]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH:5]([CH2:6][CH2:7]1)[CH2:8][CH2:9]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 757711-HydroxybenzotriazoleHCID 2758251(3,4-Difluorophenyl)(phenyl)methanolHCID 2832202Quinuclidine-3-carboxylic acid

Product 1

HCID 70925855(3,4-Difluorophenyl)(phenyl)methyl quinuclidine-3-carboxylate

Sources & evidence

ORD record
ord-13eff365542b4c12b45091fc4777b513
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes