Toluene → [5-Cyclopentyl-3-(2,6-dichlorophenyl)-4-isoxazolyl]methanol
Reaction equation
[CH2:25]([Al+:26][CH2:27][CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH:1]1([c:6]2[c:7]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:8](-[c:11]3[c:12]([Cl:18])[cH:13][cH:14][cH:15][c:16]3[Cl:17])[n:9][o:10]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:24].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[CH:1]1([c:6]2[c:7]([CH2:19][OH:20])[c:8](-[c:11]3[c:12]([Cl:18])[cH:13][cH:14][cH:15][c:16]3[Cl:17])[n:9][o:10]2)[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
7
Sources & evidence
- ORD record
- ord-75c6ca45763c458ebb43a0880f6be021
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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