Toluene → HCID 57824410, compound
Reaction equation
[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cl:50][C:51]([Cl:52])([O:53][C:54](=[O:55])[O:56][C:57]([Cl:58])([Cl:59])[Cl:60])[Cl:61].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[c:11](=[O:26])[n:12](-[c:15]3[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]3)[n:13][cH:14]2)[cH:8][cH:9]1.[N:44]1=[N:49][NH:48][C:46](=[O:47])[CH2:45]1.[NH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[NH2:34][c:35]1[cH:36][cH:37][c:38]([N+:39](=[O:40])[O-:41])[cH:42][cH:43]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[n:10]2[c:11](=[O:26])[n:12](-[c:15]3[cH:16][cH:17][c:18]([O:21][C:22]([F:23])([F:24])[F:25])[cH:19][cH:20]3)[n:13][cH:14]2)[cH:8][cH:9]1Participants
8
Sources & evidence
- ORD record
- ord-34d58425905544b8bec0754a8cbfac6e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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