1-Chloro-2,4-Dinitrobenzene → 2,4-Dinitro-1-(2-phenylchroman-6-yloxy)-benzene

HRID 2345335Notes

Reaction equation

HRID 2345335 reaction equation
[CH3:59][S:60]([CH3:61])=[O:62].[K+:45].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[O:17][CH:16]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:15][CH2:14]3)[cH:6][cH:7][cH:8][cH:9]1.[N+:46](=[O:47])([O-:48])[c:49]1[cH:50][c:51]([N+:52]([O-:53])=[O:54])[cH:55][cH:56][c:57]1[Cl:58].[OH-:44].[OH:27][c:28]1[cH:29][c:30]2[c:31]([cH:32][cH:33]1)[O:34][CH:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:42][CH2:43]2>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([O:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][cH:20]2)[O:17][CH:16]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:15][CH2:14]3)[cH:6][cH:7][c:8]([N+:46](=[O:47])[O-:48])[cH:9]1

Participants

7

Reactant 6

HCID 61-Chloro-2,4-DinitrobenzeneHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 179784752-Nitro-1-(2-phenylchroman-6-yloxy)-benzeneHCID 212875382-Phenylchroman-6-ol

Product 1

HCID 179785452,4-Dinitro-1-(2-phenylchroman-6-yloxy)-benzene

Sources & evidence

ORD record
ord-1be568ce6c474ea893a0923d47361339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…