Toluene → HCID 69142466, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([OH:15])[cH:13][cH:14]1)=[O:17].[CH2:40]([P:41]([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[F:18][c:19]1[c:20](-[c:25]2[cH:26][cH:27][c:28](-[c:31]3[s:32][c:33]([CH3:39])[c:34]([CH2:36][CH2:37][OH:38])[n:35]3)[cH:29][n:30]2)[cH:21][cH:22][cH:23][cH:24]1.[N:53]([C:54]([N:55]1[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1)=[O:61])=[N:62][C:63]([N:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1)=[O:70]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH3:16])[cH:11][c:12]([O:15][CH2:37][CH2:36][c:34]2[c:33]([CH3:39])[s:32][c:31](-[c:28]3[cH:27][cH:26][c:25](-[c:20]4[c:19]([F:18])[cH:24][cH:23][cH:22][cH:21]4)[n:30][cH:29]3)[n:35]2)[cH:13][cH:14]1)=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-55669bb4c1584f339ec81f81027e7a16
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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