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Potassium Cation → 1,1-Dimethylethyl 4-(4-{[3-(2-methyl-1-piperidinyl)propyl]oxy}phenyl)-1-piperazinecarboxylate

HRID 1151283
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인쇄 미리보기

반응식

HRID 1151283 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][Cl:24])[cH:18][cH:19]2)[CH2:12][CH2:13]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:33][CH:34]1[NH:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[CH3:40][C:41](=[O:42])[CH2:43][CH3:44].[I-:32].[K+:29].[K+:30].[K+:31].[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][cH:16][c:17]([O:20][CH2:21][CH2:22][CH2:23][N:35]3[CH:34]([CH3:33])[CH2:39][CH2:38][CH2:37][CH2:36]3)[cH:18][cH:19]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation3회HCID 962WaterHCID 6569Methyl Ethyl KetoneHCID 79742-MethylpiperidineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 588178434-[4-(3-Chloro-propoxy)-phenyl]-piperazine-1-carboxylic acid tert-butyl ester

생성물

1
HCID 579358121,1-Dimethylethyl 4-(4-{[3-(2-methyl-1-piperidinyl)propyl]oxy}phenyl)-1-piperazinecarboxylate

출처 및 근거

ORD 기록
ord-f6e78d9dd5ec40d8b695e0d7db38a30f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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