Toluene → HCID 54495628, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:16][c:17]2[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]2)[c:7]([CH:10]=[CH:11][C:12](=[O:13])[O:14][CH3:15])[cH:8][n:9]1.[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.[H-:24].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:16][c:17]2[c:18]([Cl:23])[cH:19][cH:20][cH:21][cH:22]2)[c:7]([CH:10]=[CH:11][CH2:12][OH:13])[cH:8][n:9]1Participants
6
Sources & evidence
- ORD record
- ord-b33e0e3282c9492bad8f3cc7fecf77df
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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