Dimethylformamide → 2-chloro-9-cyclopentyl-8,9-dihydro-5-methylspiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-6(7H)-one

Reaction equation

[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]1([C:10](=[O:12])[NH:11]2)[CH2:13][CH2:14]1.[Cs+:27].[Cs+:28].[I:21][CH3:22]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:20]1)[N:7]([CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[CH2:8][C:9]1([C:10](=[O:12])[N:11]2[CH3:23])[CH2:13][CH2:14]1

Participants

Reactant 5

HCID 6228Dimethylformamide

HCID 6328Methyl iodide

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 579698732'-chloro-9'-cyclopentyl-8',9'-dihydrospiro[cyclopropane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one

Product 1

HCID 579699392-chloro-9-cyclopentyl-8,9-dihydro-5-methylspiro[5H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclopropan]-6(7H)-one

Sources & evidence

ORD record: ord-fa2603fa56814aa48bad7dcc4f9af5b1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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