Benzene → HCID 54543998, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])=[N:32][OH:33])[n:25]1.[Cl:53][CH:54]1[CH2:55][CH2:56][CH:57]([OH:60])[CH2:58][CH2:59]1.[O:61]=[C:62]([O:63][CH2:64][CH3:65])[N:66]=[N:67][C:68]([O:69][CH2:70][CH3:71])=[O:72].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[cH:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[NH:20][c:21]1[s:22][cH:23][c:24]([C:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])=[N:32][O:33][CH:57]2[CH2:56][CH2:55][CH:54]([Cl:53])[CH2:59][CH2:58]2)[n:25]1Participants
6
Sources & evidence
- ORD record
- ord-9d01aee2bc7340d2bcc24203e935b659
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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