Potassium Cation → 4-(4-Chlorophenyl)-1-[4-(3-methoxyphenyl)-4-(3-pyridinyl)-3-butenyl]piperidin-4-ol

HRID 676079Notes

Reaction equation

HRID 676079 reaction equation
[Br:1][CH2:2][CH2:3][CH:4]=[C:5]([c:6]1[cH:7][n:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:20][c:21]1[cH:22][cH:23][c:24]([C:27]2([OH:33])[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[cH:25][cH:26]1.[I-:41].[K+:38].[K+:39].[K+:40].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46].[OH2:53]>>[CH2:2]([CH2:3][CH:4]=[C:5]([c:6]1[cH:7][n:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]1)[N:30]1[CH2:29][CH2:28][C:27]([c:24]2[cH:23][cH:22][c:21]([Cl:20])[cH:26][cH:25]2)([OH:33])[CH2:32][CH2:31]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 382824-(4-Chlorophenyl)-4-hydroxypiperidineHCID 538732124-Bromo-1-(3-methoxyphenyl)-1-(3-pyridinyl)-1-butene

Product 1

HCID 571931264-(4-Chlorophenyl)-1-[4-(3-methoxyphenyl)-4-(3-pyridinyl)-3-butenyl]piperidin-4-ol

Sources & evidence

ORD record
ord-099f4b10b27a457994bf2940e4723b0f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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