Sodium ion → 2-chloro-4-(4-cyclopropyl-2,6-dimethylphenoxy)-7H-pyrrolo[2,3-d]pyrimidine

HRID 191613Notes

Reaction equation

HRID 191613 reaction equation
[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH:1]1([c:4]2[cH:5][c:6]([CH3:12])[c:7]([OH:11])[c:8]([CH3:10])[cH:9]2)[CH2:2][CH2:3]1.[Cl:15][c:16]1[n:17][c:18]([Cl:25])[c:19]2[c:20]([n:21]1)[nH:22][cH:23][cH:24]2.[H-:14].[Na+:13].[OH2:26]>>[CH:1]1([c:4]2[cH:5][c:6]([CH3:12])[c:7]([O:11][c:18]3[n:17][c:16]([Cl:15])[n:21][c:20]4[c:19]3[cH:24][cH:23][nH:22]4)[c:8]([CH3:10])[cH:9]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 166653HydrideHCID 141168712,4-Dichloro-7H-pyrrolo[2,3-d]pyrimidineHCID 576935554-Cyclopropyl-2,6-dimethylphenol

Product 1

HCID 576935762-chloro-4-(4-cyclopropyl-2,6-dimethylphenoxy)-7H-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-e0df466cf1264936a3b8d160c8556a48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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