Toluene → HCID 58383338, compound
Reaction equation
[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH:54]([OH:55])([CH3:56])[CH3:57].[F:1][C:2]([c:3]1[c:4]([F:28])[cH:5][c:6](-[c:10]2[c:11]([F:27])[cH:12][c:13](-[c:16]3[n:17][cH:18][c:19]([CH:22]=[CH:23][CH2:24][CH2:25][CH3:26])[cH:20][cH:21]3)[cH:14][cH:15]2)[cH:7][c:8]1[F:9])([O:29][c:30]1[cH:31][c:32]([F:45])[c:33](-[c:36]2[cH:37][c:38]([F:44])[c:39]([F:43])[c:40]([F:42])[cH:41]2)[cH:34][cH:35]1)[F:46]>>[F:1][C:2]([c:3]1[c:4]([F:28])[cH:5][c:6](-[c:10]2[c:11]([F:27])[cH:12][c:13](-[c:16]3[n:17][cH:18][c:19]([CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[cH:20][cH:21]3)[cH:14][cH:15]2)[cH:7][c:8]1[F:9])([O:29][c:30]1[cH:31][c:32]([F:45])[c:33](-[c:36]2[cH:37][c:38]([F:44])[c:39]([F:43])[c:40]([F:42])[cH:41]2)[cH:34][cH:35]1)[F:46]Participants
4
Sources & evidence
- ORD record
- ord-df20922970df45109d516851d21f7e85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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