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Ammonium → 1,1,1,3,3,3-Hexafluoro-2-(4-(2-((6-methoxy-2-pyridinyl)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

HRID 1217518
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HRID 1217518 반응식
[Br:24][c:25]1[cH:26][cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:29][cH:30]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:9][CH:10]2[CH2:11][N:12]([S:16](=[O:17])(=[O:18])[c:19]3[s:20][cH:21][cH:22][cH:23]3)[CH2:13][CH2:14][NH:15]2)[n:8]1.[CH3:41][C:42]([CH3:43])([O-:44])[CH3:45].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[Cl-:54].[NH4+:55].[Na+:46].[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:9][CH:10]2[CH2:11][N:12]([S:16](=[O:17])(=[O:18])[c:19]3[s:20][cH:21][cH:22][cH:23]3)[CH2:13][CH2:14][N:15]2[c:25]2[cH:26][cH:27][c:28]([C:31]([C:32]([F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[OH:40])[cH:29][cH:30]2)[n:8]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 1140TolueneHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 45749132-Methylpropan-2-olate
HCID 23233570
2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
HCID 665833823-((6-Methoxy-2-pyridinyl)methyl)-1-(2-thiophenylsulfonyl)piperazine

생성물 1

HCID 569330491,1,1,3,3,3-Hexafluoro-2-(4-(2-((6-methoxy-2-pyridinyl)methyl)-4-(2-thiophenylsulfonyl)-1-piperazinyl)phenyl)-2-propanol

출처 및 근거

ORD 기록
ord-a198802d29874d858bc243a3f104978d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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