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

HRID 1204699Notes

Reaction equation

HRID 1204699 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]([F:31])[c:9]([CH3:30])[c:10](-[n:12]3[c:13](=[O:29])[c:14]([NH:18][C:19]4([c:22]5[c:23]([OH:28])[cH:24][cH:25][cH:26][cH:27]5)[CH2:20][CH2:21]4)[n:15][cH:16][cH:17]3)[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]([F:31])[c:9]([CH3:30])[c:10](-[n:12]3[c:13](=[O:29])[c:14]([NH:18][C:19]4([c:22]5[c:23]([O:28][CH2:35][CH2:34][Cl:33])[cH:24][cH:25][cH:26][cH:27]5)[CH2:20][CH2:21]4)[n:15][cH:16][cH:17]3)[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 66690808N-Cyclopropyl-3-fluoro-5-[3-[[1-(2-hydroxyphenyl)cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-4-methyl-benzamide

Product 1

HCID 666898043-[3-[[1-[2-(2-chloroethoxy)phenyl]cyclopropyl]amino]-2-oxo-1(2H)-pyrazinyl]-N-cyclopropyl-5-fluoro-4-methyl-benzamide

Sources & evidence

ORD record
ord-fc027de89d6a49f8aa9ccb2e8c5315e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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