Toluene → HCID 86739017, compound
Reaction equation
[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][cH:16][n:17]([CH:27]3[O:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[c:18]2-[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:12][cH:13]1.[F:33][c:34]1[c:35]([S:40]([F:41])([F:42])([F:43])([F:44])[Cl:45])[cH:36][cH:37][cH:38][cH:39]1.[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][c:16]([S:40]([c:35]3[c:34]([F:33])[cH:39][cH:38][cH:37][cH:36]3)([F:41])([F:42])([F:43])[F:44])[n:17]([CH:27]3[O:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[c:18]2-[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[cH:12][cH:13]1Participants
8
Sources & evidence
- ORD record
- ord-32c3ad96d91e44189c84246698e9aca6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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