Toluene → HCID 72241165, compound
Reaction equation
[CH2:27]1[CH2:31][O:30][CH2:29][CH2:28][O:32]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cl:40][C:41](=[O:42])[Cl:43].[F:44][C:45]([CH2:46][NH2:47])([F:48])[F:49].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:20]3[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[c:12]([n:13]2)[CH2:14][N:15]([CH:18]=[O:19])[CH2:16][CH2:17]3)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([N:20]3[CH:21]([CH3:26])[CH2:22][O:23][CH2:24][CH2:25]3)[c:11]3[c:12]([n:13]2)[CH2:14][N:15]([CH:18]=[O:19])[CH2:16][CH2:17]3)[cH:6][cH:7]1)[C:27](=[O:32])[NH:47][CH2:46][C:45]([F:44])([F:48])[F:49]Participants
7
Sources & evidence
- ORD record
- ord-7b0c94fb28ef4392b1af805827f6f8b9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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