Sodium ion → 2-Chloro-9-(2-methoxy-ethyl)-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HRID 199084

Reaction equation

HRID 199084 reaction equation
[CH3:18][N:19]([CH3:20])[C:21](=[O:22])[CH3:23].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:17]1)[N:7]([CH2:13][CH2:14][O:15][CH3:16])[CH2:8][CH2:9][C:10](=[O:12])[NH:11]2.[H-:26].[I:24][CH3:25].[Na+:27].[OH2:28]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:17]1)[N:7]([CH2:13][CH2:14][O:15][CH3:16])[CH2:8][CH2:9][C:10](=[O:12])[N:11]2[CH3:18]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6328Methyl iodideHCID 31374DimethylacetamideHCID 166653HydrideHCID 866234122-Chloro-9-(2-methoxy-ethyl)-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 866175782-Chloro-9-(2-methoxy-ethyl)-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Sources & evidence

ORD record
ord-02fa1a1912644bdb9e5a96bb4cd01e14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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