Acetonitrile → 3-[3-[[1-[2-(2-chloroethoxy)-5-fluorophenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-4-methyl-benzamide

HRID 2128841Notes

Reaction equation

HRID 2128841 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][C:44]#[N:45].[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:31])[c:15]([NH:19][C:20]4([c:23]5[c:24]([OH:30])[cH:25][cH:26][c:27]([F:29])[cH:28]5)[CH2:21][CH2:22]4)[n:16][cH:17][cH:18]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:32])[CH2:2][CH2:3]1.[Cl:33][CH2:34][CH2:35][Br:36].[Cs+:41].[Cs+:42]>>[CH:1]1([NH:4][C:5]([c:6]2[cH:7][c:8](-[n:13]3[c:14](=[O:31])[c:15]([NH:19][C:20]4([c:23]5[c:24]([O:30][CH2:35][CH2:34][Cl:33])[cH:25][cH:26][c:27]([F:29])[cH:28]5)[CH2:21][CH2:22]4)[n:16][cH:17][cH:18]3)[c:9]([CH3:12])[cH:10][cH:11]2)=[O:32])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 78491-Bromo-2-ChloroethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 66689006N-cyclopropyl-3-[3-[[1-(5-fluoro-2-hydroxyphenyl)cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide

Product 1

HCID 666891783-[3-[[1-[2-(2-chloroethoxy)-5-fluorophenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-4-methyl-benzamide

Sources & evidence

ORD record
ord-375525d61f1f4997a0cc3eb79830f35d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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