Sodium Ion → 2-Chloro-4-(mesityloxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

Reaction equation

[CH3:25][N:26]1[CH2:27][CH2:28][CH2:29][C:30]1=[O:31].[CH3:3][c:4]1[c:5]([OH:12])[c:6]([CH3:11])[cH:7][c:8]([CH3:10])[cH:9]1.[Cl:13][c:14]1[n:15][c:16]([Cl:24])[c:17]2[c:18]([n:19]1)[cH:20][cH:21][n:22]2[CH3:23].[H-:2].[Na+:1].[OH2:32]>>[CH3:3][c:4]1[c:5]([O:12][c:16]2[n:15][c:14]([Cl:13])[n:19][c:18]3[c:17]2[n:22]([CH3:23])[cH:21][cH:20]3)[c:6]([CH3:11])[cH:7][c:8]([CH3:10])[cH:9]1

Participants

Reactant 6

HCID 923Sodium Ion

HCID 962Water

HCID 106982,4,6-Trimethylphenol

HCID 13387N-methyl-2-pyrrolidone

HCID 166653Hydride

HCID 147277632,4-dichloro-5-methyl-5H-pyrrolo(3,2-d)pyrimidine

Product 1

HCID 576936612-Chloro-4-(mesityloxy)-5-methyl-5H-pyrrolo[3,2-d]pyrimidine

Sources & evidence

ORD record: ord-7e177af1bda5412e8052737ebabf9531
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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