Sodium ion → 4-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl ethyl carbonate

HRID 1207737Notes

Reaction equation

HRID 1207737 reaction equation
[Cl:30][C:31](=[O:32])[O:33][CH2:34][CH3:35].[H-:29].[NH2:1][c:2]1[n:3][c:4]([Cl:27])[c:5]2[c:6]([n:7]1)[n:8]([CH2:16][c:17]1[n:18][cH:19][c:20]([CH3:26])[c:21]([O:24][CH3:25])[c:22]1[CH3:23])[cH:9][c:10]2[C:11]#[C:12][CH2:13][CH2:14][OH:15].[Na+:28]>>[NH2:1][c:2]1[n:3][c:4]([Cl:27])[c:5]2[c:6]([n:7]1)[n:8]([CH2:16][c:17]1[n:18][cH:19][c:20]([CH3:26])[c:21]([O:24][CH3:25])[c:22]1[CH3:23])[cH:9][c:10]2[C:11]#[C:12][CH2:13][CH2:14][O:15][C:31](=[O:32])[O:33][CH2:34][CH3:35]

Participants

5

Reactant 4

HCID 923Sodium ionHCID 10928Ethyl chloroformateHCID 166653HydrideHCID 119505104-[2-Amino-4-chloro-7-(4-methoxy-3,5-dimethyl-pyridin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-but-3-yn-1-ol

Product 1

HCID 577138224-(2-amino-4-chloro-7-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)but-3-ynyl ethyl carbonate

Sources & evidence

ORD record
ord-a224e771361c4cba90de55c3e9fd3372
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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