Toluene → HCID 9935839, compound
Reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH2:9][CH2:10][CH2:11][n:12]1[cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][c:19]([C:21](=[O:22])[N:23]3[CH2:24][CH:25]([CH2:31][N:32]4[CH2:33][CH2:34][CH:35]([c:38]5[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]5)[CH2:36][CH2:37]4)[CH:26]([CH:28]4[CH2:29][CH2:30]4)[CH2:27]3)[c:20]12)([CH3:5])([CH3:6])[CH3:7].[CH3:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl:52][CH:53]([Cl:54])[CH3:55].[F:45][C:46]([F:47])([F:48])[C:49]([OH:50])=[O:51]>>[NH2:8][CH2:9][CH2:10][CH2:11][n:12]1[cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][c:19]([C:21](=[O:22])[N:23]3[CH2:24][CH:25]([CH2:31][N:32]4[CH2:33][CH2:34][CH:35]([c:38]5[cH:39][cH:40][c:41]([F:44])[cH:42][cH:43]5)[CH2:36][CH2:37]4)[CH:26]([CH:28]4[CH2:29][CH2:30]4)[CH2:27]3)[c:20]12Participants
5
Sources & evidence
- ORD record
- ord-9a4fa3994f6a41fd9c93294e4a7289d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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