Dimethyl Sulfoxide → 2,2',4,4',6,6'-Hexanitrostilbene

HRID 2319729Notes

Reaction equation

HRID 2319729 reaction equation
[C:33]1(=[O:34])[CH:35]=[CH:36][C:37](=[O:38])[CH:39]=[CH:40]1.[CH3:41][S:42](=[O:43])[CH3:44].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH2:16][CH2:17][c:18]2[c:19]([N+:30](=[O:31])[O-:32])[cH:20][c:21]([N+:27](=[O:28])[O-:29])[cH:22][c:23]2[N+:24](=[O:25])[O-:26])[c:6]([N+:13](=[O:14])[O-:15])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[OH2:45]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH:16]=[CH:17][c:18]2[c:19]([N+:30](=[O:31])[O-:32])[cH:20][c:21]([N+:27](=[O:28])[O-:29])[cH:22][c:23]2[N+:24](=[O:25])[O-:26])[c:6]([N+:13](=[O:14])[O-:15])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 4650QuinoneHCID 1384311,3,5-Trinitro-2-(2-(2,4,6-trinitrophenyl)ethyl)benzene

Product 1

HCID 2536282,2',4,4',6,6'-Hexanitrostilbene

Sources & evidence

ORD record
ord-c27546aaa56f47608bb650aa81e893c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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