Toluene → HCID 68999125, compound
Reaction equation
[CH3:19][c:20]1[c:21]([CH:25]=[O:26])[s:22][cH:23][cH:24]1.[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13]([NH2:18])[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13]([N:18]=[CH:25][c:21]3[c:20]([CH3:19])[cH:24][cH:23][s:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12Participants
5
Sources & evidence
- ORD record
- ord-662506b049694a38a239367fcbd2c23e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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