Benzene → HCID 178482220, compound
Reaction equation
[CH3:37][NH:38][S:39](=[O:40])(=[O:41])[c:42]1[c:43]([N+:51](=[O:52])[O-:53])[cH:44][c:45]([N+:48](=[O:49])[O-:50])[cH:46][cH:47]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:14](=[O:15])[N:16]3[CH2:17][CH2:18][C:19]([CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)([CH2:28][N:29]4[C:30](=[O:36])[O:31][CH2:32][C:33]4([CH3:34])[CH3:35])[CH2:20][CH2:21]3)[CH2:10][CH:11]([OH:13])[CH2:12]2)[cH:6][cH:7]1.[O:73]=[C:74]([O:75][CH2:76][CH3:77])[N:78]=[N:79][C:80]([O:81][CH2:82][CH3:83])=[O:84].[c:54]1([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69][cH:70][cH:71][cH:72]1.[cH:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:14](=[O:15])[N:16]3[CH2:17][CH2:18][C:19]([CH:22]4[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]4)([CH2:28][N:29]4[C:30](=[O:36])[O:31][CH2:32][C:33]4([CH3:34])[CH3:35])[CH2:20][CH2:21]3)[CH2:10][CH:11]([N:38]([CH3:37])[S:39](=[O:40])(=[O:41])[c:42]3[c:43]([N+:51](=[O:52])[O-:53])[cH:44][c:45]([N+:48](=[O:49])[O-:50])[cH:46][cH:47]3)[CH2:12]2)[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-070db695a67d45f0b152dfcafd786932
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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