Toluene → 4'-Butoxy-2,3,3'-trifluorobiphenyl-4-yl 4'-propylbicyclohexane-4-carboxylate

HRID 95436Notes

Reaction equation

HRID 95436 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7]([F:31])[cH:8][c:9](-[c:12]2[c:13]([F:30])[c:14]([F:29])[c:15]([O:18][CH2:19][C:20]3([CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]3)[cH:16][cH:17]2)[cH:10][cH:11]1.[CH2:56]([CH2:57][CH3:58])[CH:59]1[CH2:60][CH2:61][CH:62]([CH:65]2[CH2:66][CH2:67][CH:68]([C:71](=[O:72])[OH:73])[CH2:69][CH2:70]2)[CH2:63][CH2:64]1.[CH3:47][N:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][n:54]1)[CH3:55].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[CH:32]1([N:33]=[C:34]=[N:35][CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7]([F:31])[cH:8][c:9](-[c:12]2[c:13]([F:30])[c:14]([F:29])[c:15]([O:73][C:71]([CH:68]3[CH2:67][CH2:66][CH:65]([CH:62]4[CH2:61][CH2:60][CH:59]([CH2:56][CH2:57][CH3:58])[CH2:64][CH2:63]4)[CH2:70][CH2:69]3)=[O:72])[cH:16][cH:17]2)[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 1140TolueneHCID 10868DicyclohexylcarbodiimideHCID 218852-DimethylaminopyridineHCID 793726trans-4'-Propyl-(1,1'-bicyclohexyl)-4-carboxylic AcidHCID 669883901-(4-Butoxy-3-fluorophenyl)-2,3-difluoro-4-[(1-propylcyclohexyl)methoxy]benzene

Product 1

HCID 585007434'-Butoxy-2,3,3'-trifluorobiphenyl-4-yl 4'-propylbicyclohexane-4-carboxylate

Sources & evidence

ORD record
ord-a109454adc8e4d3e9ad0d502e8a35660
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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