Sodium ion → 2'-chloro-9'-isopropyl-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-one

HRID 149885Notes

Reaction equation

HRID 149885 reaction equation
[CH3:19][I:20].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]([CH3:16])[CH3:17])[CH2:11][C:8]1([C:7](=[O:18])[NH:6]2)[CH2:9][CH2:10]1.[Cl:23][CH2:24][Cl:25].[H-:21].[Na+:22]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]([CH3:16])[CH3:17])[CH2:11][C:8]1([C:7](=[O:18])[N:6]2[CH3:19])[CH2:9][CH2:10]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6328Methyl iodideHCID 6344DichloromethaneHCID 166653HydrideHCID 866175872'-chloro-9'-isopropyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-one

Product 1

HCID 866175592'-chloro-9'-isopropyl-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-one

Sources & evidence

ORD record
ord-69246794cb1d46edb1ed840adcabb157
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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