Toluene → [3-[(Cyclopentyloxy)methyl]-5-(1-methylethyl)-4-isoxazolyl]methanol
Reaction equation
[CH2:25]([Al+:26][CH2:27][CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH:1]1([O:6][CH2:7][c:8]2[n:9][o:10][c:11]([CH:21]([CH3:22])[CH3:23])[c:12]2[C:13](=[O:14])[O:15][CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:24]>>[CH:1]1([O:6][CH2:7][c:8]2[n:9][o:10][c:11]([CH:21]([CH3:22])[CH3:23])[c:12]2[CH2:13][OH:14])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-9cab6445658c41b5b7345a7cc654828a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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