Toluene → HCID 20800936, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][CH2:6][c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][c:13]1[c:14]([CH2:19][N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[cH:15][cH:16][cH:17][cH:18]1)[cH:26][cH:27][cH:28][cH:29]2.[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:48][CH:49]([Cl:50])[CH3:51].[F:30][c:31]1[c:32]([C:33](=[O:34])[Cl:35])[cH:36][cH:37][cH:38][c:39]1[F:40]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([CH2:6][c:7]1[n:8][c:9]2[c:10]([n:11]1[CH2:12][c:13]1[c:14]([CH2:19][N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[cH:15][cH:16][cH:17][cH:18]1)[cH:26][cH:27][cH:28][cH:29]2)[C:33]([c:32]1[c:31]([F:30])[c:39]([F:40])[cH:38][cH:37][cH:36]1)=[O:34]Participants
5
Sources & evidence
- ORD record
- ord-227aa45a069f4f869360cf1ddf5fd9b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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