Toluene → HCID 86626796, compound
Reaction equation
[CH3:48][O:49][CH2:50][CH2:51][OH:52].[CH3:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([OH:14])[cH:12][n:13]2)[CH2:15][c:16]2[c:17]([N:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:37][CH3:38])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[O:72]=[C:73]([O:74][CH2:75][CH3:76])[N:77]=[N:78][C:79]([O:80][CH2:81][CH3:82])=[O:83].[O:84]1[CH2:85][CH2:86][CH2:87][CH2:88]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:51][CH2:50][O:49][CH3:48])[cH:12][n:13]2)[CH2:15][c:16]2[c:17]([N:26]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:37][CH3:38])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47]Participants
7
Sources & evidence
- ORD record
- ord-a00158a154f6444b957fdff58c96fd5a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…