Toluene → HCID 178443219, compound
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[n:13]1[c:14](-[c:19]2[cH:20][cH:21][c:22]([OH:25])[cH:23][cH:24]2)[cH:15][cH:16][c:17]1[CH3:18].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:59]=[C:60]([O:61][CH2:62][CH3:63])[N:64]=[N:65][C:66]([O:67][CH2:68][CH3:69])=[O:70].[OH:26][CH:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12])[n:13]1[c:14](-[c:19]2[cH:20][cH:21][c:22]([O:25][CH:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:23][cH:24]2)[cH:15][cH:16][c:17]1[CH3:18]Participants
6
Sources & evidence
- ORD record
- ord-13335db924434ee8bf63e8d98bcae9b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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