2-Methyl-2-(4-nitrophenoxy)propanoic acid → HCID 178422645, compound
Reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[CH:21]1[CH:22]=[C:23]2[CH:24]=[CH:25][CH:26]([CH3:53])[C:27]([CH2:32][CH2:33][CH:34]3[CH2:35][CH:36]([C:45]([CH3:46])([CH3:47])[CH3:48])[CH:37]([O:41][SiH:42]([CH3:43])[CH3:44])[C:38](=[O:40])[O:39]3)([O:49][SiH:50]([CH3:51])[CH3:52])[CH:28]2[CH:29]([OH:31])[CH2:30]1.[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][C:9]([C:10](=[O:11])[OH:12])([CH3:13])[CH3:14])[cH:15][cH:16]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([O:8][C:9]([C:10]([O:11][CH:29]2[CH:28]3[C:23](=[CH:22][CH:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:30]2)[CH:24]=[CH:25][CH:26]([CH3:53])[C:27]3([CH2:32][CH2:33][CH:34]2[CH2:35][CH:36]([C:45]([CH3:46])([CH3:47])[CH3:48])[CH:37]([O:41][SiH:42]([CH3:43])[CH3:44])[C:38](=[O:40])[O:39]2)[O:49][SiH:50]([CH3:51])[CH3:52])=[O:12])([CH3:13])[CH3:14])[cH:15][cH:16]1Participants
3
Sources & evidence
- ORD record
- ord-02a21c5be9a242aab85bbd2610a085b3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
Loading…