Toluene → HCID 178422788, compound
Reaction equation
[CH3:40][Al:41]([CH3:42])[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:1][c:2]1[c:3]([CH2:4][NH:5][c:6]2[n:7][c:8]3[c:9]([nH:10]2)[c:11]2[c:15]([c:16]([C:18](=[O:19])[O:20][CH3:21])[cH:17]3)[O:14][C:13]([CH3:22])([CH3:23])[CH2:12]2)[cH:24][cH:25][cH:26][cH:27]1.[F:28][c:29]1[c:30]([NH2:31])[cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]1>>[Cl:1][c:2]1[c:3]([CH2:4][NH:5][c:6]2[n:7][c:8]3[c:9]([nH:10]2)[c:11]2[c:15]([c:16]([C:18](=[O:19])[NH:31][c:30]4[c:29]([F:28])[cH:35][cH:34][c:33]([C:36]([F:37])([F:38])[F:39])[cH:32]4)[cH:17]3)[O:14][C:13]([CH3:22])([CH3:23])[CH2:12]2)[cH:24][cH:25][cH:26][cH:27]1Participants
5
Sources & evidence
- ORD record
- ord-681a5bd63b574775a03f1c97725afeba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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