Acetonitrile → HCID 54154263, compound

HRID 138529Notes

Reaction equation

HRID 138529 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([O:12][CH2:13][CH2:14][OH:15])[cH:16][cH:17][cH:18]1.[CH3:24][CH2:25][N:26]([CH2:27][CH3:28])[CH2:29][CH3:30].[CH3:31][C:32]#[N:33].[S:19]([NH2:20])(=[O:21])(=[O:22])[Cl:23]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([O:12][CH2:13][CH2:14][O:15][S:19]([NH2:20])(=[O:21])=[O:22])[cH:16][cH:17][cH:18]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 24499Chlorosulfamic acidHCID 121470482-(3-Benzyloxyphenoxy)ethanol

Product 1

HCID 54154263HCID 54154263, compound

Sources & evidence

ORD record
ord-188f2b157a274b0fa511ee4b3d44ddec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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