Acetate → [4'-(5-Methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-yl]-(2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone

HRID 2159633Notes

Reaction equation

HRID 2159633 reaction equation
[C:61](=[O:62])([O-:63])[O-:64].[CH3:76][CH2:77][OH:78].[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1.[K+:65].[K+:66].[N:14]1([CH2:19][CH:20]2[N:21]([C:25](=[O:26])[c:27]3[cH:28][cH:29][c:30]([B:33]4[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]4)[cH:31][cH:32]3)[CH2:22][CH2:23][CH2:24]2)[CH2:15][CH2:16][CH2:17][CH2:18]1.[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[Pd+2:67]>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([C:25]([N:21]3[CH:20]([CH2:19][N:14]4[CH2:15][CH2:16][CH2:17][CH2:18]4)[CH2:24][CH2:23][CH2:22]3)=[O:26])[cH:32][cH:31]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 702EthanolHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 28294152-(4-chlorophenyl)-5-methyl-1,3,4-oxadiazoleHCID 67373507HCID 67373507, compound

Product 1

HCID 11582434[4'-(5-Methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-yl]-(2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone

Sources & evidence

ORD record
ord-865af38301d84951ad33f210d1dc9643
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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