Water → 2,2',4,4',6,6'-Hexanitrostilbene

HRID 115644

Reaction equation

HRID 115644 reaction equation
[CH3:47][N:48]([CH3:49])[P:50](=[O:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57].[Cl:33][C:34]1=[C:45]([Cl:46])[C:43](=[O:44])[C:40]([C:41]#[N:42])=[C:37]([C:38]#[N:39])[C:35]1=[O:36].[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.[OH2:58]>>[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 962WaterHCID 67752,3-Dichloro-5,6-dicyano-1,4-benzoquinoneHCID 12679HexamethylphosphoramideHCID 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-86ba082c5cb74ad684936cf15780a819
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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