Toluene → Ethyl 3-(2-fluoro-4-{[4-(1-hydroxybutyl)benzyl]oxy}phenyl)propanoate
Reaction equation
[CH2:29]([P:30]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[F:1][c:2]1[c:3]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[N:42]([C:43]([N:44]1[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1)=[O:50])=[N:51][C:52]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59].[OH:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([CH:24]([CH2:25][CH2:26][CH3:27])[OH:28])[cH:22][cH:23]1>>[F:1][c:2]1[c:3]([CH2:9][CH2:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[cH:4][cH:5][c:6]([O:8][CH2:17][c:18]2[cH:19][cH:20][c:21]([CH:24]([CH2:25][CH2:26][CH3:27])[OH:28])[cH:22][cH:23]2)[cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c6ed3091fa9949e99f83e2ea15f6fdd3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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