Benzene → HCID 178445033, compound
Reaction equation
[CH2:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[O:29][C:30]([CH2:31][CH2:32][CH:33]([NH2:34])[C:35]([NH2:36])=[O:37])=[O:38].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:63][N:64]([CH3:65])[CH:66]=[O:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[ClH:21].[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[NH:10][CH:11]([CH3:12])[C:13](=[O:14])[OH:15])[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20].[c:39]1([P:40]([N:41]=[N+:42]=[N-:43])([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:50])[cH:51][cH:52][cH:53][cH:54][cH:55]1.[cH:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[NH:10][CH:11]([CH3:12])[C:13](=[O:15])[NH:34][CH:33]([CH2:32][CH2:31][C:30]([O:29][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)=[O:38])[C:35]([NH2:36])=[O:37])[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]Participants
9
Sources & evidence
- ORD record
- ord-b3e2f4e3299b488db4b49bb982211010
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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