Dimethyl Sulfoxide → 2,5,6-Trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

Reaction equation

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

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 962Water

HCID 154284084-Chloro-7-mesityl-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidine

HCID 178511842HCID 178511842, compound

Product 1

HCID 235057422,5,6-Trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile

Sources & evidence

ORD record: ord-fa8a88fa9b534ddf91adad7db7782866
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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