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Hydrogen Peroxide → dibenzyl 3,3-difluoro-1-((2-methoxy-4-(2-oxo-3-(4-(trifluoromethoxy)phenylthio)pyrazin-1(2H)-yl)phenoxy)methyl)cyclobutyl phosphate

HRID 93628
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인쇄 미리보기

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HRID 93628 반응식
[CH:1]([N:2]([CH:3]([CH3:4])[CH3:22])[P:5]([O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([CH3:23])[CH3:24].[F:25][C:26]1([F:60])[CH2:27][C:28]([OH:30])([CH2:31][O:32][c:33]2[c:34]([O:58][CH3:59])[cH:35][c:36](-[n:39]3[c:40](=[O:57])[c:41]([S:45][c:46]4[cH:47][cH:48][c:49]([O:52][C:53]([F:54])([F:55])[F:56])[cH:50][cH:51]4)[n:42][cH:43][cH:44]3)[cH:37][cH:38]2)[CH2:29]1.[Na+:74].[Na+:75].[OH2:68].[OH:66][OH:67].[S:69]([O-:70])([O-:71])(=[O:72])=[S:73].[nH:61]1[cH:62][n:63][cH:64][n:65]1>>[P:5]([O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)([O:30][C:28]1([CH2:31][O:32][c:33]2[c:34]([O:58][CH3:59])[cH:35][c:36](-[n:39]3[c:40](=[O:57])[c:41]([S:45][c:46]4[cH:47][cH:48][c:49]([O:52][C:53]([F:54])([F:55])[F:56])[cH:50][cH:51]4)[n:42][cH:43][cH:44]3)[cH:37][cH:38]2)[CH2:27][C:26]([F:25])([F:60])[CH2:29]1)=[O:66]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 784Hydrogen PeroxideHCID 923Sodium Ion2회HCID 962WaterHCID 1084Thiosulfate ionHCID 92571H-1,2,4-TriazoleHCID 196621Bis(benzyloxy)(diisopropylamino)phosphineHCID 57540520
1-(4-((3,3-difluoro-1-hydroxycyclobutyl)methoxy)-3-methoxyphenyl)-3-(4-(trifluoromethoxy)phenylthio)pyrazin-2(1H)-one

생성물 1

HCID 57540648dibenzyl 3,3-difluoro-1-((2-methoxy-4-(2-oxo-3-(4-(trifluoromethoxy)phenylthio)pyrazin-1(2H)-yl)phenoxy)methyl)cyclobutyl phosphate

출처 및 근거

ORD 기록
ord-b3d08b03b2304f11ab41811bcec5e554
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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