Toluene → HCID 67136103, compound
Reaction equation
[CH3:27][N:28]([CH2:29][CH2:30][O:31][c:32]1[cH:33][cH:34][c:35]([NH2:36])[cH:37][cH:38]1)[CH3:39].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)=[N:12][NH:13][c:14]1[cH:15][cH:16][c:17]([O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:18][cH:19]1.[Cl:1][C:2]([Cl:3])=[O:4]>>[C:2](=[O:4])([N:13]([N:12]=[CH:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[c:14]1[cH:15][cH:16][c:17]([O:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:18][cH:19]1)[NH:36][c:35]1[cH:34][cH:33][c:32]([O:31][CH2:30][CH2:29][N:28]([CH3:27])[CH3:39])[cH:38][cH:37]1Participants
5
Sources & evidence
- ORD record
- ord-96f977bf268a4cd4851ad2a1be5a23b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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