Toluene → HCID 69356569, compound
Reaction equation
[CH2:58]([P:59]([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH3:1][c:2]1[n:3][c:4](-[c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[o:5][c:6]1[CH:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[OH:15].[CH3:26][O:27][C:28]([CH2:29][CH2:30][c:31]1[c:32]([CH3:38])[cH:33][c:34]([OH:37])[cH:35][cH:36]1)=[O:39].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[N:40]([C:41]([N:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]1)=[O:48])=[N:49][C:50]([N:51]1[CH2:52][CH2:53][CH2:54][CH2:55][CH2:56]1)=[O:57]>>[CH3:1][c:2]1[n:3][c:4](-[c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[o:5][c:6]1[CH:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[O:15][c:34]1[cH:33][c:32]([CH3:38])[c:31]([CH2:30][CH2:29][C:28]([O:27][CH3:26])=[O:39])[cH:36][cH:35]1Participants
6
Sources & evidence
- ORD record
- ord-95fe8838338547c8a7fbfae118e2bf8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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