Toluene → HCID 11221282, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:33]([O:34][C:35]([N:36]1[CH2:37][CH2:38][C:39](=[O:40])[CH2:41][CH2:42]1)=[O:43])([CH3:44])([CH3:45])[CH3:46].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[N+:55]([c:56]1[cH:57][cH:58][c:59]([CH:60]=[CH:61][N+:62]([O-:63])=[O:64])[cH:65][cH:66]1)([O-:67])=[O:68].[NH2:47][CH2:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[NH:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-7e06099068994791a4092aa80d671c58
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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