Acetic Acid → 1-Acetyl-4-[4-(4-methoxy-4-phenylpiperidin-1-yl)phenyl]piperazine

HRID 1536284Notes

Reaction equation

HRID 1536284 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23])[cH:14][cH:15]2)[CH2:8][CH2:9]1.[C:38](=[O:39])([O-:40])[O-:41].[C:55]([OH:56])(=[O:57])[CH3:58].[CH3:24][O:25][C:26]1([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:51][CH2:52][Cl:53].[Cs+:42].[Cs+:43].[Pd+2:54]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([N:29]3[CH2:28][CH2:27][C:26]([O:25][CH3:24])([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[CH2:31][CH2:30]3)[cH:14][cH:15]2)[CH2:8][CH2:9]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 417384HCID 417384, compoundHCID 22494772Trifluoromethanesulfonic acid 4-(4-acetylpiperazin-1-yl)phenyl ester

Product 1

HCID 224947141-Acetyl-4-[4-(4-methoxy-4-phenylpiperidin-1-yl)phenyl]piperazine

Sources & evidence

ORD record
ord-850e6d5078f4469396cfa61b0d05f1fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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