Toluene → HCID 58930909, compound
Reaction equation
[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][C:41]#[N:42].[F:23][c:24]1[cH:25][cH:26][c:27]([N:30]=[C:31]=[O:32])[cH:28][cH:29]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[nH:13][c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:15]3)[cH:21][cH:22]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][n:12]2)[nH:13][c:14]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:15]3)[cH:21][cH:22]1)[C:31]([NH:30][c:27]1[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]1)=[O:32]Participants
5
Sources & evidence
- ORD record
- ord-156dd4d6312d46ce8e6cb2863f3ae6e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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