Cyanide → 2-Pyrazinecarbonitrile, 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-4,5-dihydro-5-oxo-

HRID 1133389Notes

Reaction equation

HRID 1133389 reaction equation
[C-:39]#[N:40].[C-:42]#[N:43].[CH3:32][N:33]1[CH2:34][CH2:35][CH2:36][C:37]1=[O:38].[Cl:1][c:2]1[n:3][c:4]([NH:16][c:17]2[c:18]([CH3:28])[n:19][c:20]([O:24][CH:25]([F:26])[F:27])[c:21]([CH3:23])[cH:22]2)[c:5](=[O:15])[n:6]([CH:8]([CH2:9][O:10][CH3:11])[CH:12]2[CH2:13][CH2:14]2)[cH:7]1.[Cl:29][CH2:30][Cl:31].[Zn+2:41]>>[c:2]1([C:32]#[N:33])[n:3][c:4]([NH:16][c:17]2[c:18]([CH3:28])[n:19][c:20]([O:24][CH:25]([F:26])[F:27])[c:21]([CH3:23])[cH:22]2)[c:5](=[O:15])[n:6]([CH:8]([CH2:9][O:10][CH3:11])[CH:12]2[CH2:13][CH2:14]2)[cH:7]1

Participants

6

Reactant 5

HCID 5975Cyanide2×HCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 32051Zinc(2+)HCID 498552725-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

Product 1

HCID 498552782-Pyrazinecarbonitrile, 4-[(1S)-1-cyclopropyl-2-methoxyethyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-4,5-dihydro-5-oxo-

Sources & evidence

ORD record
ord-de8c6761f5ab4e0984e8266cc3001cb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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