Hydrochloric Acid → 1-(3-Butynyl)-4-(4-chlorophenyl)piperidine

HRID 1571447Notes

Reaction equation

HRID 1571447 reaction equation
[C:32](=[O:33])([O-:34])[O-:35].[CH2:1]([CH2:2][C:3]#[CH:4])[OH:5].[CH3:13][S:14](=[O:15])(=[O:16])[Cl:17].[CH3:44][C:45]#[N:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][CH3:12].[Cl:19][c:20]1[cH:21][cH:22][c:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[cH:24][cH:25]1.[ClH:18].[ClH:38].[K+:36].[K+:37].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1>>[CH2:1]([CH2:2][C:3]#[CH:4])[N:29]1[CH2:28][CH2:27][CH:26]([c:23]2[cH:22][cH:21][c:20]([Cl:19])[cH:25][cH:24]2)[CH2:31][CH2:30]1

Participants

11

Reactant 10

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 135663-Butyn-1-OLHCID 19660Carbonate IonHCID 31297Methanesulfonyl chlorideHCID 12036134-(4-Chlorophenyl)piperidine

Product 1

HCID 184279681-(3-Butynyl)-4-(4-chlorophenyl)piperidine

Sources & evidence

ORD record
ord-d73b311200104f16b3df90ec0e46ff49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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