Dimethyl Sulfoxide → N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo(2,3-d)pyrimidin-4-amine

Reaction equation

[CH2:22]([CH3:23])[NH:24][CH2:25][CH2:26][CH2:27][CH3:28].[CH3:30][S:31]([CH3:32])=[O:33].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([CH3:8])[n:7]1)[n:9](-[c:13]1[c:14]([CH3:21])[cH:15][c:16]([CH3:20])[cH:17][c:18]1[CH3:19])[cH:10][c:11]2[CH3:12].[OH2:29]>>[c:2]1([N:24]([CH2:22][CH3:23])[CH2:25][CH2:26][CH2:27][CH3:28])[c:3]2[c:4]([n:5][c:6]([CH3:8])[n:7]1)[n:9](-[c:13]1[c:14]([CH3:21])[cH:15][c:16]([CH3:20])[cH:17][c:18]1[CH3:19])[cH:10][c:11]2[CH3:12]

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 962Water

HCID 25914Butylethylamine

HCID 107805364-Chloro-7-mesityl-2,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 5311055N-butyl-N-ethyl-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo(2,3-d)pyrimidin-4-amine

Sources & evidence

ORD record: ord-89addc55a5be4affbb50797bba2d69cc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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