Sodium ion → (4-chloro-phenyl)-[2-(3,5-dimethyl-pyrazol-1-yl)-9-methyl-9H-purin-6-yl]-carbamic acid 2-methoxy-ethyl ester

HRID 2337964Notes

Reaction equation

HRID 2337964 reaction equation
[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[n:11][cH:12][n:13]([CH3:25])[c:14]3[n:15][c:16](-[n:18]3[n:19][c:20]([CH3:24])[cH:21][c:22]3[CH3:23])[n:17]2)[cH:6][cH:7]1.[Cl:28][C:29](=[O:30])[O:31][CH2:32][CH2:33][O:34][CH3:35].[H-:26].[Na+:27].[OH2:36]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([c:9]2[c:10]3[n:11][cH:12][n:13]([CH3:25])[c:14]3[n:15][c:16](-[n:18]3[n:19][c:20]([CH3:24])[cH:21][c:22]3[CH3:23])[n:17]2)[C:29](=[O:30])[O:31][CH2:32][CH2:33][O:34][CH3:35])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 694002-Methoxyethyl chloroformateHCID 166653HydrideHCID 44472568NS13001

Product 1

HCID 45110733(4-chloro-phenyl)-[2-(3,5-dimethyl-pyrazol-1-yl)-9-methyl-9H-purin-6-yl]-carbamic acid 2-methoxy-ethyl ester

Sources & evidence

ORD record
ord-8f0221e31a3a4dbc86f57ac40017cb7e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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