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Sodium Ion → 2-Chloro-9-cyclopentyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

HRID 93504
Notes
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Reaction equation

HRID 93504 reaction equation
[CH3:19][N:20]([CH3:21])[C:22](=[O:23])[CH3:24].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:18]1)[N:7]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:8][CH2:9][C:10](=[O:12])[NH:11]2.[H-:27].[I:25][CH3:26].[Na+:28].[OH2:29]>>[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:6]([n:18]1)[N:7]([CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)[CH2:8][CH2:9][C:10](=[O:12])[N:11]2[CH3:19]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 962WaterHCID 6328Methyl iodideHCID 31374DimethylacetamideHCID 166653HydrideHCID 579403592-Chloro-9-cyclopentyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Product 1

HCID 579405262-Chloro-9-cyclopentyl-5-methyl-5,7,8,9-tetrahydro-pyrimido[4,5-b][1,4]diazepin-6-one

Sources & evidence

ORD record
ord-f219721007324b82a83978eb7f2d5e4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes