O-Xylene → HCID 44234338, compound
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[C:6](=[O:18])[c:7]2[c:8]([cH:12][c:13]([CH2:16][CH3:17])[cH:14][cH:15]2)[O:9][CH2:10][CH2:11]1.[NH2:19][c:20]1[n:21][cH:22][cH:23][cH:24][cH:25]1.[c:26]1([CH3:27])[c:28]([CH3:29])[cH:30][cH:31][cH:32][cH:33]1>>[C:3](=[O:4])([CH:5]1[C:6](=[O:18])[c:7]2[c:8]([cH:12][c:13]([CH2:16][CH3:17])[cH:14][cH:15]2)[O:9][CH2:10][CH2:11]1)[NH:19][c:20]1[n:21][cH:22][cH:23][cH:24][cH:25]1Participants
4
Sources & evidence
- ORD record
- ord-66e5e428e6d04b6e88eeee376631caa0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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