Dichloromethane → 2,3-Difluoro-4-heptyloxybenzoic acid 4-[4-(trans-4-pentylcyclohexyl)-1-butyl]phenyl ester
Reaction equation
[CH2:20]([CH2:21][CH2:22][CH2:23][CH3:24])[CH:25]1[CH2:26][CH2:27][CH:28]([CH2:31][CH2:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][c:38]([OH:41])[cH:39][cH:40]2)[CH2:29][CH2:30]1.[CH3:57][N:58]([CH3:59])[c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1.[CH:42]1([N:43]=[C:44]=[N:45][CH:46]2[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1.[Cl:66][CH2:67][Cl:68].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:10]1[F:11]>>[F:1][c:2]1[c:3]([C:4]([O:5][c:38]2[cH:37][cH:36][c:35]([CH2:34][CH2:33][CH2:32][CH2:31][CH:28]3[CH2:27][CH2:26][CH:25]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:30][CH2:29]3)[cH:40][cH:39]2)=[O:6])[cH:7][cH:8][c:9]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:10]1[F:11]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-a7ec241069cb416f8c9c1ce96dcef702
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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