Potassium Cation → 1-[[1-(3-Tert-butylphenyl)cyclohexyl]amino]-3-[[2-(diethylamino)pyrimidin-4-yl]amino]-4-(3,5-difluorophenyl)butan-2-ol

HRID 2321463Notes

Reaction equation

HRID 2321463 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:11]2([NH:17][CH2:18][CH:19]([CH:20]([CH2:21][c:22]3[cH:23][c:24]([F:29])[cH:25][c:26]([F:28])[cH:27]3)[NH:30][c:31]3[n:32][c:33]([Cl:37])[n:34][cH:35][cH:36]3)[OH:38])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:8][cH:9][cH:10]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:39]([CH3:40])[NH:41][CH2:42][CH3:43].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[K+:48].[K+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:11]2([NH:17][CH2:18][CH:19]([CH:20]([CH2:21][c:22]3[cH:23][c:24]([F:29])[cH:25][c:26]([F:28])[cH:27]3)[NH:30][c:31]3[n:32][c:33]([N:41]([CH2:39][CH3:40])[CH2:42][CH3:43])[n:34][cH:35][cH:36]3)[OH:38])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[cH:8][cH:9][cH:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8021DiethylamineHCID 19660Carbonate IonHCID 59599241HCID 59599241, compound

Product 1

HCID 684250561-[[1-(3-Tert-butylphenyl)cyclohexyl]amino]-3-[[2-(diethylamino)pyrimidin-4-yl]amino]-4-(3,5-difluorophenyl)butan-2-ol

Sources & evidence

ORD record
ord-72068744341244d18b1ff245c4371dcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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