Toluene → HCID 53766630, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:23][c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[c:7]([CH:10]=[C:11]([C:12](=[O:13])[O:14][CH3:15])[CH2:16][c:17]2[o:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:8][n:9]1.[CH2:32]([Al+:33][CH2:34][CH:35]([CH3:36])[CH3:37])[CH:38]([CH3:39])[CH3:40].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[H-:31].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:23][c:24]2[c:25]([Cl:30])[cH:26][cH:27][cH:28][cH:29]2)[c:7]([CH:10]=[C:11]([CH2:12][OH:13])[CH2:16][c:17]2[o:18][c:19]([CH3:22])[cH:20][cH:21]2)[cH:8][n:9]1Participants
6
Sources & evidence
- ORD record
- ord-1fa71f423cc443a5a64dface9c8d4fac
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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