Toluene → HCID 54710175, compound
Reaction equation
[C:1](=[O:2])([OH:3])[c:4]1[c:5]([OH:20])[c:6]2[cH:7][c:8]([O:18][CH3:19])[cH:9][c:10]3[c:11]2[n:12]([c:16]1=[O:17])[CH2:13][CH2:14][O:15]3.[CH2:21]([CH3:22])[O:23][C:24](=[O:25])[CH:26]1[NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[CH2:34]1.[CH2:35]1[CH2:36][CH2:37][CH:38]([N:39]=[C:40]=[N:41][CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[CH2:48][CH2:49]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[C:1](=[O:3])([c:4]1[c:5]([OH:20])[c:6]2[cH:7][c:8]([O:18][CH3:19])[cH:9][c:10]3[c:11]2[n:12]([c:16]1=[O:17])[CH2:13][CH2:14][O:15]3)[N:27]1[CH:26]([C:24]([O:23][CH2:21][CH3:22])=[O:25])[CH2:34][c:33]2[c:28]1[cH:29][cH:30][cH:31][cH:32]2Participants
5
Sources & evidence
- ORD record
- ord-d64da78d9a33410a945eeff36f004d32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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