Phenethylamine → HCID 66724543, compound

HRID 671650Notes

Reaction equation

[CH2:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[NH2:19].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:51][C:52]#[N:53].[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][cH:9][n:10]1.[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[F:1][c:2]1[c:3]([C:4](=[O:6])[NH:19][CH2:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:7][cH:8][cH:9][n:10]1

Participants

Reactant 6

HCID 1001Phenethylamine

HCID 6342Acetonitrile

HCID 8471Triethylamine

HCID 9886Hexafluorophosphate

HCID 960892-Fluoronicotinic acid

HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 66724543HCID 66724543, compound

Sources & evidence

ORD record: ord-8358ecb9d49e463b9560822a5d1f4e9b
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…