Acetic Acid → 1-(4-{4-[1-(2-Methoxy-ethyl)-piperidin-4-yloxy]-benzyl}-piperazin-1-yl)-1-phenyl-methanone

HRID 101665

Reaction equation

HRID 101665 reaction equation
[C:34](=[O:35])([O-:36])[O-:37].[CH3:42][C:43](=[O:44])[CH2:45][CH3:46].[CH3:47][C:48](=[O:49])[OH:50].[Cl:29][CH2:30][CH2:31][O:32][CH3:33].[I-:41].[K+:38].[K+:39].[K+:40].[c:1]1([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([CH2:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH:23]4[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]4)[cH:20][cH:21]3)[CH2:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[O:8])[N:9]2[CH2:10][CH2:11][N:12]([CH2:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH:23]4[CH2:24][CH2:25][N:26]([CH2:30][CH2:31][O:32][CH3:33])[CH2:27][CH2:28]4)[cH:20][cH:21]3)[CH2:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium Cation3×HCID 6569Methyl Ethyl KetoneHCID 123162-Chloroethyl methyl etherHCID 19660Carbonate IonHCID 30165Iodide IonHCID 57935703Phenyl[4-({4-[(piperidin-4-yl)oxy]phenyl}methyl)piperazin-1-yl]methanone

Product 1

HCID 579358331-(4-{4-[1-(2-Methoxy-ethyl)-piperidin-4-yloxy]-benzyl}-piperazin-1-yl)-1-phenyl-methanone

Sources & evidence

ORD record
ord-a5ae837ee0e54d81b2e2e4b9f6905121
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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