2,2,2-Trifluoroethanol → 4-(4-(4-cyclopropyl-2,6-dimethylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)benzonitrile

HRID 1133964Notes

Reaction equation

HRID 1133964 reaction equation
[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:1][c:2]1[n:3][c:4]([O:11][c:12]2[c:13]([CH3:22])[cH:14][c:15]([CH:19]3[CH2:20][CH2:21]3)[cH:16][c:17]2[CH3:18])[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2.[NH2:23][c:24]1[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]1.[OH:32][C:33]([C:34]([F:35])([F:36])[F:37])=[O:38].[OH:39][CH2:40][C:41]([F:42])([F:43])[F:44]>>[c:2]1([NH:23][c:24]2[cH:25][cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]2)[n:3][c:4]([O:11][c:12]2[c:13]([CH3:22])[cH:14][c:15]([CH:19]3[CH2:20][CH2:21]3)[cH:16][c:17]2[CH3:18])[c:5]2[c:6]([n:7]1)[nH:8][cH:9][cH:10]2

Participants

6

Reactant 5

HCID 64092,2,2-TrifluoroethanolHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 133964-AminobenzonitrileHCID 576935762-chloro-4-(4-cyclopropyl-2,6-dimethylphenoxy)-7H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 576935944-(4-(4-cyclopropyl-2,6-dimethylphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)benzonitrile

Sources & evidence

ORD record
ord-42fbdff68ff04e8494a9a21f4e723d85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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