Toluene → HCID 19757171, compound
Reaction equation
[CH2:65]([Li:66])[CH2:67][CH2:68][CH3:69].[CH3:1][O:2][c:3]1[c:4]([O:42][CH2:43][O:44][CH3:45])[c:5]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][c:24]2[c:25]([O:40][CH3:41])[c:26]([O:36][CH2:37][O:38][CH3:39])[cH:27][c:28]([O:34][CH3:35])[c:29]2[O:30][CH2:31][O:32][CH3:33])[c:6]([O:17][CH3:18])[c:7]([O:13][CH2:14][O:15][CH3:16])[c:8]1[CH2:9][CH2:10][CH2:11][CH3:12].[CH3:46][N:47]([CH3:48])[P:49]([N:50]([CH3:51])[CH3:52])([N:53]([CH3:54])[CH3:56])=[O:55].[CH3:57][N:58]([CH2:59][CH2:60][N:61]([CH3:62])[CH3:63])[CH3:64].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[c:75]1([CH3:76])[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH3:1][O:2][c:3]1[c:4]([O:42][CH2:43][O:44][CH3:45])[c:5]([CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][c:24]2[c:25]([O:40][CH3:41])[c:26]([O:36][CH2:37][O:38][CH3:39])[c:27]([OH:55])[c:28]([O:34][CH3:35])[c:29]2[O:30][CH2:31][O:32][CH3:33])[c:6]([O:17][CH3:18])[c:7]([O:13][CH2:14][O:15][CH3:16])[c:8]1[CH2:9][CH2:10][CH2:11][CH3:12]Participants
8
Sources & evidence
- ORD record
- ord-f3842b99e436494bbb3f62772ee39d57
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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