Toluene → Methyl 3-(4-{{[4'-(2-ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}[(2-nitrophenyl)sulfonyl]amino}phenyl)propanoate
Reaction equation
[CH2:26]([CH3:27])[O:28][CH2:29][CH2:30][O:31][c:32]1[cH:33][c:34]([CH3:47])[c:35](-[c:39]2[cH:40][c:41]([CH2:45][OH:46])[cH:42][cH:43][cH:44]2)[c:36]([CH3:38])[cH:37]1.[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[cH:6][cH:7][cH:8][cH:9]1.[O:67]=[C:68]([O:69][CH2:70][CH3:71])[N:72]=[N:73][C:74]([O:75][CH2:76][CH3:77])=[O:78].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[CH2:45][c:41]2[cH:40][c:39](-[c:35]3[c:34]([CH3:47])[cH:33][c:32]([O:31][CH2:30][CH2:29][O:28][CH2:26][CH3:27])[cH:37][c:36]3[CH3:38])[cH:44][cH:43][cH:42]2)[cH:6][cH:7][cH:8][cH:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-1d4add277ac74f1aba79434032a18571
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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