Toluene → HCID 22346305, compound
Reaction equation
[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[F:20][c:21]1[cH:22][c:23]([S:29][CH3:30])[c:24]([CH2:27][NH2:28])[cH:25][cH:26]1.[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH:1][c:2]1[c:3]([C:16]([O:18][CH3:17])=[O:19])[n:4][c:5]([C:12](=[O:13])[O:14][CH3:15])[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12>>[OH:1][c:2]1[c:3]([C:16](=[O:18])[NH:28][CH2:27][c:24]2[c:23]([S:29][CH3:30])[cH:22][c:21]([F:20])[cH:26][cH:25]2)[n:4][c:5]([C:12](=[O:13])[O:14][CH3:15])[c:6]2[cH:7][cH:8][cH:9][n:10][c:11]12Participants
5
Sources & evidence
- ORD record
- ord-79721c259de647d2b9ab9d62ec37f43d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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