Toluene → HCID 86761789, compound
Reaction equation
[CH2:40]([SiH:41]([CH2:42][CH3:43])[CH2:44][CH3:45])[CH3:46].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[CH3:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[CH:47]([CH3:48])([CH3:49])[O:50][P:51]([O:52][CH:53]([CH3:54])[CH3:55])[O-:56].[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4](-[c:7]2[cH:8][c:9]3[c:10]([nH:11][c:12]([C:14]([F:15])([F:16])[c:17]4[cH:18][c:19]([Br:23])[cH:20][cH:21][cH:22]4)[n:13]3)[cH:24][c:25]2[Cl:26])[cH:5][cH:6]1>>[c:1]1(-[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:2][cH:3][c:4](-[c:7]2[cH:8][c:9]3[c:10]([nH:11][c:12]([C:14]([F:15])([F:16])[c:17]4[cH:18][c:19]([P:51]([O:50][CH:47]([CH3:48])[CH3:49])([O:52][CH:53]([CH3:54])[CH3:55])=[O:56])[cH:20][cH:21][cH:22]4)[n:13]3)[cH:24][c:25]2[Cl:26])[cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-9d0e113c9d5b40aabe2244739244999d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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