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Water → 6-butyl-3-[3-(2-hydroxyethoxy)phenyl]-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one

HRID 178022
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인쇄 미리보기

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HRID 178022 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:30][c:31]2[cH:32][cH:33][c:34](-[c:37]3[c:38](-[c:43]4[n:44][o:45][c:46](=[O:48])[nH:47]4)[cH:39][cH:40][cH:41][cH:42]3)[cH:35][cH:36]2)[c:7](=[O:29])[n:8](-[c:12]2[cH:13][c:14]([O:18][CH2:19][CH2:20][O:21][Si:22]([C:23]([CH3:24])([CH3:25])[CH3:26])([CH3:27])[CH3:28])[cH:15][cH:16][cH:17]2)[c:9]([CH3:11])[n:10]1.[CH3:50][CH2:51][CH2:52][CH2:53][N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[F-:49].[O:74]1[CH2:75][CH2:76][CH2:77][CH2:78]1.[OH2:73]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[c:6]([CH2:30][c:31]2[cH:32][cH:33][c:34](-[c:37]3[c:38](-[c:43]4[n:44][o:45][c:46](=[O:48])[nH:47]4)[cH:39][cH:40][cH:41][cH:42]3)[cH:35][cH:36]2)[c:7](=[O:29])[n:8](-[c:12]2[cH:13][c:14]([O:18][CH2:19][CH2:20][OH:21])[cH:15][cH:16][cH:17]2)[c:9]([CH3:11])[n:10]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 1361467336-butyl-3-[3-(2-{[tert-butyl(dimethyl)silyl]oxy}ethoxy)phenyl]-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one

생성물 1

HCID 1361468446-butyl-3-[3-(2-hydroxyethoxy)phenyl]-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}pyrimidin-4(3H)-one

출처 및 근거

ORD 기록
ord-212caa6c35d2429b9d9eacf88bb02c14
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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