Toluene → HCID 178495393, compound
Reaction equation
[CH2:34]([P:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:47][O:48][CH2:49][CH:50]([CH3:51])[OH:52].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]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].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:22]3=[N:26][CH2:25][CH:24]([CH2:27][N:28]4[CH2:29][CH2:30][S:31][CH2:32][CH2:33]4)[S:23]3)[nH:7][c:8]2[c:9]([N:11]([S:12](=[O:13])(=[O:14])[c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[CH3:21])[cH:10]1>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]([C:22]3=[N:26][CH2:25][CH:24]([CH2:27][N:28]4[CH2:29][CH2:30][S:31][CH2:32][CH2:33]4)[S:23]3)[nH:7][c:8]2[c:9]([N:11]([S:12](=[O:13])(=[O:14])[c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[CH3:21])[cH:10]1)[CH:50]([CH2:49][O:48][CH3:47])[CH3:51]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-24b0efc99d7546adba2fbbe7fad41a55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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