Potassium Cation → 2-[4-(4-amino-7-(3-tetrahydrofuryl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-6-(2-(4-pyridyl)ethylamino)-benzonitrile

HRID 110017Notes

Reaction equation

HRID 110017 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:23][c:24]1[c:25]([C:26]#[N:27])[c:28]([NH:32][CH2:33][CH2:34][c:35]2[cH:36][cH:37][n:38][cH:39][cH:40]2)[cH:29][cH:30][cH:31]1.[K+:45].[K+:46].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:18]1[CH2:19][O:20][CH2:21][CH2:22]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1.[OH2:52]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:18]1[CH2:19][O:20][CH2:21][CH2:22]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:24]2[c:25]([C:26]#[N:27])[c:28]([NH:32][CH2:33][CH2:34][c:35]3[cH:36][cH:37][n:38][cH:39][cH:40]3)[cH:29][cH:30][cH:31]2)[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 3809390HCID 3809390, compoundHCID 227364004-[4-Amino-7-(tetrahydro-3-furanyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenol

Product 1

HCID 227362422-[4-(4-amino-7-(3-tetrahydrofuryl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenoxy]-6-(2-(4-pyridyl)ethylamino)-benzonitrile

Sources & evidence

ORD record
ord-deb69b5027f248c5a9bf35dc12af3b0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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