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Bromide ion → 4-(4-(2-(3,5-Difluoro-4-(t-butyldimethylsiloxy)phenyl)ethenyl)cyclohexyl)-1-propyl-1-phenyl-1-silacyclohexane

HRID 1135157
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HRID 1135157 반응식
[Br-:7].[CH2:44]([CH2:45][CH3:46])[Si:47]1([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[CH2:48][CH2:49][CH:50]([CH:53]2[CH2:54][CH2:55][CH:56]([CH:59]=[O:60])[CH2:57][CH2:58]2)[CH2:51][CH2:52]1.[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[F:8][c:9]1[cH:10][c:11]([CH2:12][P+:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][c:33]([F:43])[c:34]1[O:35][Si:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[CH3:42].[K+:6].[OH2:67]>>[F:8][c:9]1[cH:10][c:11]([CH:12]=[CH:59][CH:56]2[CH2:55][CH2:54][CH:53]([CH:50]3[CH2:49][CH2:48][Si:47]([CH2:44][CH2:45][CH3:46])([c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[CH2:52][CH2:51]3)[CH2:58][CH2:57]2)[cH:32][c:33]([F:43])[c:34]1[O:35][Si:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[CH3:42]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 259Bromide ionHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 536682054-(4-Phenyl-4-n-propyl-4-silacyclohexyl)cyclohexane carbaldehydeHCID 86754959[4-[Tert-butyl(dimethyl)silyl]oxy-3,5-difluorophenyl]methyl-triphenylphosphanium

생성물 1

HCID 542963774-(4-(2-(3,5-Difluoro-4-(t-butyldimethylsiloxy)phenyl)ethenyl)cyclohexyl)-1-propyl-1-phenyl-1-silacyclohexane

출처 및 근거

ORD 기록
ord-5a7947554f5e4cc7982ec2dd49ca39c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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