2-Nitrophenol → HCID 178492495, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:35][CH2:36][CH:37]2[O:38][C:39]([CH3:42])([CH3:43])[O:40][CH2:41]2)[CH:11]([c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][O:25][c:26]3[c:27]([N+:32](=[O:33])[O-:34])[cH:28][cH:29][cH:30][cH:31]3)[cH:19][cH:20]2)[CH:12]([OH:14])[CH2:13]1.[Cl:44][CH2:45][c:46]1[cH:47][c:48]([O:56][CH3:57])[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[cH:55]1.[OH:58][c:59]1[c:60]([N+:61](=[O:62])[O-:63])[cH:64][cH:65][cH:66][cH:67]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([O:35][CH2:36][CH:37]2[O:38][C:39]([CH3:42])([CH3:43])[O:40][CH2:41]2)[CH:11]([c:15]2[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][O:25][c:26]3[c:27]([N+:32](=[O:33])[O-:34])[cH:28][cH:29][cH:30][cH:31]3)[cH:19][cH:20]2)[CH:12]([O:14][CH2:45][c:46]2[cH:47][c:48]([O:56][CH3:57])[c:49]3[cH:50][cH:51][cH:52][cH:53][c:54]3[cH:55]2)[CH2:13]1Participants
4
Sources & evidence
- ORD record
- ord-78302c1d04464fd0bebf13d1ff4eaaf9
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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