Acetonitrile → 3'-Fluoro-6'-(3-chloro-benzyloxy)-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-4-carboxylic acid tert-butyl ester

HRID 1148894Notes

Reaction equation

HRID 1148894 reaction equation
[B-:29]([F:30])([F:31])([F:32])[F:33].[B-:34]([F:35])([F:36])([F:37])[F:38].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]3)[cH:17][n:18][cH:19]2)[CH2:12][CH2:13]1.[CH3:50][C:51]#[N:52].[Cl:39][CH2:40][N+:41]12[CH2:42][CH2:43][N+:44]([F:45])([CH2:46][CH2:47]1)[CH2:48][CH2:49]2>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([O:20][CH2:21][c:22]3[cH:23][c:24]([Cl:28])[cH:25][cH:26][cH:27]3)[cH:17][n:18][c:19]2[F:30])[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 26255Tetrafluoroborate2×HCID 27249341-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo(2.2.2)octaneHCID 69732798Tert-butyl 4-(6-((3-chlorobenzyl)oxy)pyrazin-2-yl)piperazine-1-carboxylate

Product 1

HCID 697307393'-Fluoro-6'-(3-chloro-benzyloxy)-3,4,5,6-tetrahydro-2h-[1,2']bipyrazinyl-4-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-c9f1178f26ff464da9e43ffa17c0c655
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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