Toluene → Methyl 3-(2,4-dimethoxy-5-methylphenyl)octanoate
Reaction equation
[CH2:28]([SnH:29]([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:1][O:2][c:3]1[c:4]([CH:17]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:5][c:6]([CH:11]2[S:12][CH2:13][CH2:14][CH2:15][S:16]2)[c:7]([O:9][CH3:10])[cH:8]1.[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[N:41]([C:42]([CH3:43])([CH3:44])[C:45]#[N:46])=[N:47][C:48]([CH3:49])([CH3:50])[C:51]#[N:52]>>[CH3:1][O:2][c:3]1[c:4]([CH:17]([CH2:18][C:19](=[O:20])[O:21][CH3:22])[CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[cH:5][c:6]([CH3:11])[c:7]([O:9][CH3:10])[cH:8]1Participants
5
Sources & evidence
- ORD record
- ord-9de2b89d834040469a0179d95ecf61c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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