Dichloromethane → 6-{(SR)-1-[(3RS,4SR)-1-(Azetidine-3-carbonyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

HRID 692601Notes

Reaction equation

HRID 692601 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([C:12](=[O:13])[N:14]2[CH2:15][CH:16]([CH:27]([CH3:28])[O:29][c:30]3[n:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]3)[CH:17]([c:19]3[cH:20][c:21]([Cl:26])[c:22]([Cl:25])[cH:23][cH:24]3)[CH2:18]2)[CH2:11]1)([CH3:5])([CH3:6])[CH3:7].[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[NH:8]1[CH2:9][CH:10]([C:12](=[O:13])[N:14]2[CH2:15][CH:16]([CH:27]([CH3:28])[O:29][c:30]3[n:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]3)[CH:17]([c:19]3[cH:20][c:21]([Cl:26])[c:22]([Cl:25])[cH:23][cH:24]3)[CH2:18]2)[CH2:11]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 66999509Tert-butyl 3-[3-[1-[(5-cyano-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]azetidine-1-carboxylate

Product 1

HCID 669999286-{(SR)-1-[(3RS,4SR)-1-(Azetidine-3-carbonyl)-4-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethoxy}-nicotinonitrile

Sources & evidence

ORD record
ord-21edcbcecb364f43918172a676b1d072
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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