Toluene → HCID 73996594, compound
Reaction equation
[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[Cl:16][c:17]1[n:18][c:19]([CH:29]=[CH:30][c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[n:20][c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]12.[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]1)([F:14])[F:15]>>[F:1][C:2]([C:3](=[O:4])[NH:5][CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([NH:13][c:17]2[n:18][c:19]([CH:29]=[CH:30][c:31]3[n:32][cH:33][cH:34][cH:35][cH:36]3)[n:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]23)[CH2:11][CH2:12]1)([F:14])[F:15]Participants
6
Sources & evidence
- ORD record
- ord-874de4b3a9c54feeb4106d9fa44ce321
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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