Benzene → HCID 23435999, compound
Reaction equation
[CH3:41][O:42][C:43]([CH:44]([NH:45][C:46]([c:47]1[c:48](-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:49][c:50]([CH2:53][OH:54])[cH:51][cH:52]1)=[O:61])[CH2:62][CH2:63][S:64][CH3:65])=[O:66].[NH:32]=[N+:33]=[N-:34].[O:20]=[C:21]([O:22][CH2:23][CH3:24])[N:25]=[N:26][C:27]([O:28][CH2:29][CH3:30])=[O:31].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[N:32](=[N+:33]=[N-:34])[CH2:53][c:50]1[cH:49][c:48](-[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:47]([C:46]([NH:45][CH:44]([C:43]([O:42][CH3:41])=[O:66])[CH2:62][CH2:63][S:64][CH3:65])=[O:61])[cH:52][cH:51]1Participants
7
Sources & evidence
- ORD record
- ord-02a7bbf44d954ff08f7f0417f77949ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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