Toluene → HCID 23502856, compound
Reaction equation
[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][S:48]([Cl:49])(=[O:50])=[O:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[Cl:59][CH2:60][Cl:61].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([CH:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[OH:28])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:29])[CH3:30])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([CH:22]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[Cl:49])[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:29])[CH3:30])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39]Participants
6
Sources & evidence
- ORD record
- ord-1da447f24a4a48acb0de8660bd7b4564
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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