Ethanol → 1-[2,5,6-trimethyl-7-(2-methyl-4-propan-2-ylthiophen-3-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-5-carboxamide

HRID 95862Notes

Reaction equation

HRID 95862 reaction equation
[C:8]([NH2:9])(=[O:10])[C:11]1=[CH:12][CH2:13][CH2:14][NH:15][CH2:16]1.[CH3:44][CH2:45][OH:46].[Cl:17][c:18]1[c:19]2[c:20]([n:21][c:22]([CH3:24])[n:23]1)[n:25](-[c:30]1[c:31]([CH3:38])[s:32][cH:33][c:34]1[CH:35]([CH3:36])[CH3:37])[c:26]([CH3:29])[c:27]2[CH3:28].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:39].[OH:40][C:41](=[O:42])[O-:43]>>[C:8]([NH2:9])(=[O:10])[C:11]1=[CH:12][CH2:13][CH2:14][N:15]([c:18]2[c:19]3[c:20]([n:21][c:22]([CH3:24])[n:23]2)[n:25](-[c:30]2[c:31]([CH3:38])[s:32][cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])[c:26]([CH3:29])[c:27]3[CH3:28])[CH2:16]1

Participants

7

Reactant 6

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 12069438HCID 12069438, compoundHCID 865899074-Chloro-2,5,6-trimethyl-7-(2-methyl-4-propan-2-ylthiophen-3-yl)pyrrolo[2,3-d]pyrimidine

Product 1

HCID 697089101-[2,5,6-trimethyl-7-(2-methyl-4-propan-2-ylthiophen-3-yl)pyrrolo[2,3-d]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-5-carboxamide

Sources & evidence

ORD record
ord-b77aab87d0ee47e1a060895d8a13d60c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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