Toluene → HCID 13784988, compound
Reaction equation
[CH3:32][CH2:33][CH2:34][CH2:35][CH3:36].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:12][C:13](=[O:14])[C:15]([Cl:16])=[O:17].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[c:7]([F:11])[cH:8][cH:9][cH:10]1.[NH2:18][c:19]1[cH:20][cH:21][c:22]2[c:23]([cH:31]1)[C:24]([F:29])([F:30])[C:25]([F:27])([F:28])[O:26]2>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:13](=[O:14])[NH:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([cH:31]2)[C:24]([F:29])([F:30])[C:25]([F:27])([F:28])[O:26]3)[c:7]([F:11])[cH:8][cH:9][cH:10]1Participants
6
Sources & evidence
- ORD record
- ord-5cc14163a5c14bf1808d0c7bded6980e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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