Toluene → HCID 69233523, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH2:31][NH:32][C:33](=[O:34])[O:35][CH:36]([CH3:37])[CH3:38])[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([OH:30])[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:39].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:40]1[CH2:41][CH2:42][CH:43]([OH:46])[CH2:44][CH2:45]1.[O:66]=[C:67]([O:68][CH:69]([CH3:70])[CH3:71])[N:72]=[N:73][C:74]([O:75][CH:76]([CH3:77])[CH3:78])=[O:79].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][c:9]1[c:10]([CH2:31][NH:32][C:33](=[O:34])[O:35][CH:36]([CH3:37])[CH3:38])[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([O:30][CH:43]4[CH2:42][CH2:41][O:40][CH2:45][CH2:44]4)[cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:39]Participants
6
Sources & evidence
- ORD record
- ord-0f00a84a1ca14a4d92b022f1b67b3e77
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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