Dimethyl Sulfoxide → 4-Cyano-2-nitro-1-(2-phenylchroman-6-yloxy)-benzene

HRID 1140228Notes

Reaction equation

HRID 1140228 reaction equation
[CH3:58][S:59]([CH3:60])=[O:61].[Cl:46][c:47]1[cH:48][cH:49][c:50]([C:51]#[N:52])[cH:53][c:54]1[N+:55]([O-:56])=[O:57].[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.[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]([C:51]#[N:52])[cH:9]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 961HydroxideHCID 13655Benzonitrile, 4-chloro-3-nitro-HCID 179784752-Nitro-1-(2-phenylchroman-6-yloxy)-benzeneHCID 212875382-Phenylchroman-6-ol

Product 1

HCID 179785464-Cyano-2-nitro-1-(2-phenylchroman-6-yloxy)-benzene

Sources & evidence

ORD record
ord-61e39ef425a246cabe2e8b23d467bec7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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