Sodium ion → 4-Nitrophenylphenyl Sulfide

HRID 2329657Notes

Reaction equation

HRID 2329657 reaction equation
[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([S:16](=[O:17])(=[O:18])[c:19]3[c:20](-[c:25]4[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:8][cH:9]1.[Na+:50].[O-:34][N+:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:42].[OH2:51].[c:43]1([S-:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[c:11]([S:16][c:19]3[c:20](-[c:25]4[cH:26][cH:27][c:28]([N+:31](=[O:32])[O-:33])[cH:29][cH:30]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:12][cH:13][cH:14][cH:15]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 7416NitrobenzeneHCID 518700Thiophenoxide anionHCID 542897844-Nitrophenylphenyl sulfone

Product 1

HCID 545005924-Nitrophenylphenyl Sulfide

Sources & evidence

ORD record
ord-b723adce21394b799f6b0f1157c5aa22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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