Sodium ion → 1-(1-Isocyanopentane-1-sulfonyl)-4-methylbenzene

HRID 1217469Notes

Reaction equation

HRID 1217469 reaction equation
[CH2:14]([CH2:15][CH2:16][CH3:17])[I:18].[CH2:25]([N+:26]([CH2:27][CH2:28][CH2:29][CH3:30])([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH3:41].[Cl:19][CH2:20][Cl:21].[I-:24].[Na+:23].[OH-:22].[OH2:42].[c:1]1([CH3:13])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[CH2:10][N+:11]#[C-:12])[cH:5][cH:6]1>>[c:1]1([CH3:13])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[CH:10]([N+:11]#[C-:12])[CH2:14][CH2:15][CH2:16][CH3:17])[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 10962Butyl iodideHCID 16028TetrabutylammoniumHCID 30165Iodide IonHCID 161915Tosylmethyl isocyanide

Product 1

HCID 457899461-(1-Isocyanopentane-1-sulfonyl)-4-methylbenzene

Sources & evidence

ORD record
ord-ca5972d0d59944018a9d1b204a082316
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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