Toluene → HCID 10282769, compound
Reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[Si:14]([O:15][CH:16]1[c:17]2[c:18](-[c:45]3[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]3)[c:19]([CH:33]([OH:34])[c:35]3[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]3)[c:20]([CH:28]3[CH2:29][CH2:30][CH2:31][CH2:32]3)[n:21][c:22]2[CH2:23][C:24]([CH3:26])([CH3:27])[CH2:25]1)([CH3:52])[CH3:53].[CH2:1]([N:2]([S:3]([F:4])([F:5])[F:7])[CH2:6][CH3:8])[CH3:9].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[F:7][CH:33]([c:19]1[c:18](-[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[c:17]2[c:22]([n:21][c:20]1[CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1)[CH2:23][C:24]([CH3:26])([CH3:27])[CH2:25][CH:16]2[O:15][Si:14]([C:10]([CH3:11])([CH3:12])[CH3:13])([CH3:52])[CH3:53])[c:35]1[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]1Participants
4
Sources & evidence
- ORD record
- ord-1db70a1f9ef04c3c82f51dba83011f9d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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