Sodium Ion → 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

[CH3:21][I:22].[CH:25]([OH:26])([CH3:27])[CH3:28].[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([CH2:10][CH2:11]1)[C:12](=[O:14])[NH:13]2.[H-:23].[Na+:24]>>[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([CH2:10][CH2:11]1)[C:12](=[O:14])[N:13]2[CH3:21]

Participants

Reactant 5

HCID 923Sodium Ion

HCID 3776Isopropanol

HCID 6328Methyl iodide

HCID 166653Hydride

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-9400d7a363504c9d851ca430e905ba48
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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