Toluene → HCID 178422772, compound
Reaction equation
[CH3:39][Al:40]([CH3:41])[CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[O:26][CH3:27])[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[F:28][C:29]([c:30]1[cH:31][cH:32][c:33]([NH2:36])[cH:34][n:35]1)([F:37])[F:38]>>[Cl:1][c:2]1[c:3]([NH:9][c:10]2[nH:11][c:12]3[c:13]([n:14]2)[cH:15][c:16]([C:24](=[O:25])[NH:36][c:33]2[cH:32][cH:31][c:30]([C:29]([F:28])([F:37])[F:38])[n:35][cH:34]2)[c:17]2[c:18]3[CH2:19][C:20]([CH3:22])([CH3:23])[O:21]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-cfecff53a46d458e8ce9dcf7339b5ac1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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