Toluene → HCID 69021912, compound
Reaction equation
[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][CH:31]1[CH:32]([NH2:37])[CH2:33][CH2:34][CH2:35][CH2:36]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][N:53]([CH3:54])[c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[Cl:1][c:2]1[n:3][c:4]([CH:14]=[CH:15][c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[n:5][c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12>>[c:2]1([NH:37][CH:32]2[CH:31]([NH:30][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:36][CH2:35][CH2:34][CH2:33]2)[n:3][c:4]([CH:14]=[CH:15][c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[n:5][c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][c:11]12Participants
6
Sources & evidence
- ORD record
- ord-0484909001d3402780e5f0f825c57266
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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