O-Xylene → HCID 19092778, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7](-[c:10]2[o:11][c:12]3[c:13]([cH:14]2)[cH:15][c:16]([O:19][CH2:20][c:21]2[c:22]([CH2:27][CH:28]([C:29](=[O:30])[OH:31])[C:32]([OH:33])=[O:34])[cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18]3)[s:8][cH:9]1.[c:35]1([CH3:36])[c:37]([CH3:38])[cH:39][cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][c:7](-[c:10]2[o:11][c:12]3[c:13]([cH:14]2)[cH:15][c:16]([O:19][CH2:20][c:21]2[c:22]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[cH:23][cH:24][cH:25][cH:26]2)[cH:17][cH:18]3)[s:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-6750ad0addde4a63b57dcff07d0c4180
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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