Toluene → HCID 178438153, compound
Reaction equation
[CH2:30]([Al+:31][CH2:32][CH:33]([CH3:34])[CH3:35])[CH:36]([CH3:37])[CH3:38].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[H-:29].[O:1]1[CH:2]([CH:6]([CH3:7])[CH:8]2[CH2:9][CH2:10][CH:11]3[CH:12]4[CH:13]=[CH:14][C:15]5=[CH:16][C:17](=[O:28])[CH:18]6[CH:19]([C:20]5([CH3:21])[CH:22]4[CH2:23][CH2:24][C:25]23[CH3:26])[O:27]6)[O:3][CH2:4][CH2:5]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[O:1]1[CH:2]([CH:6]([CH3:7])[CH:8]2[CH2:9][CH2:10][CH:11]3[CH:12]4[CH:13]=[CH:14][C:15]5=[CH:16][CH:17]([OH:28])[CH:18]6[CH:19]([C:20]5([CH3:21])[CH:22]4[CH2:23][CH2:24][C:25]23[CH3:26])[O:27]6)[O:3][CH2:4][CH2:5]1Participants
6
Sources & evidence
- ORD record
- ord-6e6a9d73cf4a4210880319987c21c1c3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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