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Hydrochloric Acid → Ethyl 4-[4-(4-hexyloxyphenyl)piperazin-1-yl]benzoate

HRID 2338980
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인쇄 미리보기

반응식

HRID 2338980 반응식
[C:22](=[O:23])([OH:24])[O-:25].[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]2)[cH:14][cH:15]1.[CH3:40][S:41]([CH3:42])=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:1].[ClH:2].[F:27][c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:37][cH:38]1.[K+:26].[OH2:39]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][N:19]([c:28]3[cH:29][cH:30][c:31]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[cH:37][cH:38]3)[CH2:20][CH2:21]2)[cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric Acid2회HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 813Potassium CationHCID 962WaterHCID 8857Ethyl AcetateHCID 67976Benzoic acid, 4-fluoro-, ethyl ester
HCID 22713163
1-(4-Hexoxyphenyl)piperazine

생성물 1

HCID 22713156Ethyl 4-[4-(4-hexyloxyphenyl)piperazin-1-yl]benzoate

출처 및 근거

ORD 기록
ord-7802e0e7615045668cf1c47f504e4da6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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