Acetate → Benzyl 4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}-3-[3-(3-methoxypropoxy)-4-pyrrolidin-1-ylbenzyloxy]piperidine-1-carboxylate
Reaction equation
[Br:28][c:29]1[c:30]([O:73][CH2:74][CH2:75][CH2:76][O:77][CH3:78])[cH:31][c:32]([CH2:33][O:34][CH:35]2[CH2:36][N:37]([C:61](=[O:62])[O:63][CH2:64][c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)[CH2:38][CH2:39][CH:40]2[c:41]2[cH:42][cH:43][c:44]([O:47][CH2:48][CH2:49][CH2:50][O:51][CH2:52][c:53]3[c:54]([O:59][CH3:60])[cH:55][cH:56][cH:57][cH:58]3)[cH:45][cH:46]2)[cH:71][cH:72]1.[C:1]([P:2]([C:3]([CH3:4])([CH3:5])[CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1-[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)([CH3:19])([CH3:20])[CH3:21].[CH2:79]1[CH2:80][CH2:81][NH:82][CH2:83]1.[CH3:22][C:23]([CH3:24])([O-:25])[CH3:26].[CH3:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Na+:27].[O-:92][C:93]([CH3:94])=[O:95].[O-:96][C:97]([CH3:98])=[O:99].[Pd+2:91]>>[c:29]1([N:82]2[CH2:81][CH2:80][CH2:79][CH2:83]2)[c:30]([O:73][CH2:74][CH2:75][CH2:76][O:77][CH3:78])[cH:31][c:32]([CH2:33][O:34][CH:35]2[CH2:36][N:37]([C:61](=[O:62])[O:63][CH2:64][c:65]3[cH:66][cH:67][cH:68][cH:69][cH:70]3)[CH2:38][CH2:39][CH:40]2[c:41]2[cH:42][cH:43][c:44]([O:47][CH2:48][CH2:49][CH2:50][O:51][CH2:52][c:53]3[c:54]([O:59][CH3:60])[cH:55][cH:56][cH:57][cH:58]3)[cH:45][cH:46]2)[cH:71][cH:72]1Participants
9
Reactant 8
HCID 175Acetate2×
HCID 923Sodium ion
HCID 1140Toluene
HCID 31268Pyrrolidine
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 27342152-(Di-tert-butylphosphino)biphenyl
HCID 45749132-Methylpropan-2-olate
HCID 68501756Benzyl 3-[4-bromo-3-(3-methoxypropoxy)benzyloxy]-4-{4-[3-(2-methoxybenzyloxy)propoxy]phenyl}piperidine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-6f99f270af294e6585e95d5fa18357e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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