Sodium ion → 2-Chloro-9-cyclohexyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HRID 92318

Reaction equation

HRID 92318 reaction equation
[CH3:24][I:25].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:9][C:8]([F:19])([F:20])[C:7](=[O:21])[NH:6]2.[H-:22].[Na+:23]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1)[CH2:9][C:8]([F:19])([F:20])[C:7](=[O:21])[N:6]2[CH3:24]

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6328Methyl iodideHCID 166653HydrideHCID 579556702-Chloro-9-cyclohexyl-7,7-difluoro-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 579555542-Chloro-9-cyclohexyl-7,7-difluoro-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Sources & evidence

ORD record
ord-9ae4095cabd344c9adf5f22c5ca8bbc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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