Water → Chloride

HRID 150872Notes

Reaction equation

HRID 150872 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[n:8]1[cH:9][n:10][cH:11][cH:12]1.[Cl:13][CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[NH:20][c:21]1[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]1[CH3:27].[OH2:29]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[n:8]1[cH:9][n+:10]([CH2:14][CH2:15][CH2:16][S:17](=[O:18])(=[O:19])[NH:20][c:21]2[c:22]([CH3:28])[cH:23][cH:24][cH:25][c:26]2[CH3:27])[cH:11][cH:12]1.[Cl-:13]

Participants

5

Reactant 3

HCID 962WaterHCID 1866691-Heptyl-1H-imidazoleHCID 201883713-chloro-N-(2,6-dimethylphenyl)propanesulfonamide

Product 2

HCID 312ChlorideHCID 53671315N-(2,6-dimethylphenyl)-3-(3-heptylimidazol-1-ium-1-yl)propane-1-sulfonamide

Sources & evidence

ORD record
ord-6e4d4a5215214e4a8669fefa5de19394
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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