Acetate → Tert-butyl 2-[[4-(4-thiophen-3-ylbenzoyl)phenoxy]methyl]pyrrolidine-1-carboxylate

HRID 701405Notes

Reaction equation

HRID 701405 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([C:21]([c:22]3[cH:23][cH:24][c:25]([I:28])[cH:26][cH:27]3)=[O:29])[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1.[C:57](=[O:58])([O-:59])[O-:60].[CH3:63][O:64][CH2:65][CH2:66][O:67][CH3:68].[CH3:79][CH2:80][OH:81].[K+:61].[K+:62].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[OH2:78].[Pd+2:69].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1.[s:30]1[cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([C:21]([c:22]3[cH:23][cH:24][c:25](-[c:32]4[cH:31][s:30][cH:34][cH:33]4)[cH:26][cH:27]3)=[O:29])[cH:19][cH:20]2)[CH2:10][CH2:11][CH2:12]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 581760Thiophene-3-boronic acidHCID 69001039Tert-butyl 2-[[4-(4-iodobenzoyl)phenoxy]methyl]pyrrolidine-1-carboxylate

Product 1

HCID 68999766Tert-butyl 2-[[4-(4-thiophen-3-ylbenzoyl)phenoxy]methyl]pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-3ceaaff132cf47ecb56753cd0dbb79cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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