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

HRID 197828Notes

Reaction equation

HRID 197828 reaction equation
[CH3:22][I:23].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:11][C:8]1([C:7](=[O:21])[NH:6]2)[CH2:9][CH2:10]1.[H-:24].[Na+:25]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:13]([n:14]1)[N:12]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1)[CH2:11][C:8]1([C:7](=[O:21])[N:6]2[CH3:22])[CH2:9][CH2:10]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 6328Methyl iodideHCID 166653HydrideHCID 579699292'-chloro-9'-cyclohexyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-one

Product 1

HCID 579698842'-chloro-9'-cyclohexyl-5'-methyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[5,4-b][1,4]diazepin]-6'(5'H)-one

Sources & evidence

ORD record
ord-a560864a14174b21bff957c330ee1257
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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