Acetonitrile → HCID 178422459, compound

HRID 1200945Notes

Reaction equation

HRID 1200945 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:13])[c:5]([CH2:8][CH2:9][CH2:10][CH2:11][NH2:12])[n:6][cH:7]1.[CH3:29][C:30]#[N:31].[Cl:14][C:15]1=[N:16][S:17](=[O:27])(=[O:28])[c:18]2[c:19]1[cH:20][cH:21][c:22]([N+:24](=[O:25])[O-:26])[cH:23]2>>[Br:1][c:2]1[cH:3][c:4]([CH3:13])[c:5]([CH2:8][CH2:9][CH2:10][CH2:11][NH:12][C:15]2=[N:16][S:17](=[O:27])(=[O:28])[c:18]3[c:19]2[cH:20][cH:21][c:22]([N+:24](=[O:25])[O-:26])[cH:23]3)[n:6][cH:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 130942724-(5-Bromo-3-methyl-2-pyridinyl)butylamineHCID 1415429627605-74-9

Product 1

HCID 178422459HCID 178422459, compound

Sources & evidence

ORD record
ord-1d3e394bb28143ebb8442e9f7d7ac843
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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