Acetonitrile → (5-Bromo-thiophen-3-yl)-(octahydro-quinolin-1-yl)-methanone

HRID 281292Notes

Reaction equation

HRID 281292 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][s:6]1.[CH3:44][C:45]#[N:46].[NH:10]1[CH2:11][CH2:12][CH2:13][CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]12.[P-:20]([F:21])([F:22])([F:23])([F:24])([F:25])[F:26].[n:27]1([O:28][C:29]([N:30]([CH3:31])[CH3:32])=[N+:33]([CH3:34])[CH3:35])[c:36]2[n:37][cH:38][cH:39][cH:40][c:41]2[n:42][n:43]1>>[Br:1][c:2]1[cH:3][c:4]([C:7](=[O:9])[N:10]2[CH2:11][CH2:12][CH2:13][CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18][CH:19]23)[cH:5][s:6]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 9886HexafluorophosphateHCID 92911DecahydroquinolineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 120399785-Bromothiophene-3-carboxylic acid

Product 1

HCID 43424594(5-Bromo-thiophen-3-yl)-(octahydro-quinolin-1-yl)-methanone

Sources & evidence

ORD record
ord-698aab69341e46f2a649720f0606e69d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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