Chloride → 1-(oxan-4-ylmethyl)-5-phenyl-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([C:18](=[O:19])[CH:20]3[C:21]([CH3:25])([CH3:26])[C:22]3([CH3:23])[CH3:24])[cH:6][n:7]([CH2:11][CH:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:8]2[cH:9][cH:10]1.[C:66](=[O:67])([O-:68])[O-:69].[CH3:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[CH:37]([c:38]1[cH:39][cH:40][cH:41][c:42]([CH:43]([CH3:44])[CH3:45])[c:46]1-[n+:47]1[cH:48][cH:49][n:50](-[c:51]2[c:52]([CH:53]([CH3:54])[CH3:55])[cH:56][cH:57][cH:58][c:59]2[CH:60]([CH3:61])[CH3:62])[cH:63]1)([CH3:64])[CH3:65].[Cl-:36].[Na+:70].[Na+:71].[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Pd:79].[Pd:80]>>[c:2]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:3][c:4]2[c:5]([C:18](=[O:19])[CH:20]3[C:21]([CH3:25])([CH3:26])[C:22]3([CH3:23])[CH3:24])[cH:6][n:7]([CH2:11][CH:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)[c:8]2[cH:9][cH:10]1Participants
10
Reactant 9
HCID 312Chloride
HCID 923Sodium ion2×
HCID 1140Toluene
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 66827Phenylboronic Acid
HCID 95417Dibenzylidene acetone3×
HCID 27349141,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium
HCID 247684915-bromo-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indoleProduct 1
Sources & evidence
- ORD record
- ord-378752b526f743e8970299296e550925
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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