Toluene → HCID 18004675, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH:10]([O:14][CH2:15][c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[O:11][CH2:12][CH2:13]1.[CH2:49]([Cl:50])[Cl:51].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:37]1[CH2:38][CH2:41][CH2:40][CH2:39]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH:10]([O:14][C:15]([c:16]2[cH:17][c:18]([C:26]([F:27])([F:28])[F:29])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)=[CH2:38])[O:11][CH2:12][CH2:13]1Participants
5
Sources & evidence
- ORD record
- ord-dc97ebf98d9a435287352ad1d68eefda
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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