Toluene → HCID 178436196, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([OH:7])[S:8][CH:9]([CH2:20][O:21][C:22]([CH3:23])=[O:24])[CH:10]([O:16][C:17]([CH3:18])=[O:19])[CH:11]1[O:12][C:13]([CH3:14])=[O:15].[CH2:25]([CH3:26])[c:27]1[cH:28][cH:29][c:30]([CH2:31][c:32]2[c:33]([OH:34])[cH:35][cH:36][cH:37][c:38]2[OH:39])[cH:40][cH:41]1.[CH3:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:61]=[C:62]([O:63][CH:64]([CH3:65])[CH3:66])[N:67]=[N:68][C:69]([O:70][CH:71]([CH3:72])[CH3:73])=[O:74].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:38]2[c:32]([CH2:31][c:30]3[cH:29][cH:28][c:27]([CH2:25][CH3:26])[cH:41][cH:40]3)[c:33]([OH:34])[cH:35][cH:36][cH:37]2)[S:8][CH:9]([CH2:20][O:21][C:22]([CH3:23])=[O:24])[CH:10]([O:16][C:17]([CH3:18])=[O:19])[CH:11]1[O:12][C:13]([CH3:14])=[O:15]Participants
6
Sources & evidence
- ORD record
- ord-21c1332ad4e04882a32effee487af780
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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