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Toluene → 4-[[(4-Chlorophenyl)sulfonyl](2,5-difluorophenyl)methyl]tetrahydrothiopyran

HRID 315005
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HRID 315005 반응식
[C:27]([CH:28]=[P:29]([CH2:30][CH2:31][CH2:32][CH3:33])([CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH2:40][CH3:41])#[N:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH:50]([O:51][CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH2:11][c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[cH:6][cH:7]1.[S:20]1[CH2:21][CH2:22][CH:23]([OH:26])[CH2:24][CH2:25]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH:11]([c:12]2[c:13]([F:19])[cH:14][cH:15][c:16]([F:18])[cH:17]2)[CH:23]2[CH2:22][CH2:21][S:20][CH2:25][CH2:24]2)[cH:6][cH:7]1
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반응물 6

HCID 1140TolueneHCID 7914Diisopropyl EtherHCID 8058HexaneHCID 576296Tetrahydro-2H-thiopyran-4-olHCID 4622928CyanomethylenetributylphosphoraneHCID 99010282-(((4-Chlorophenyl)sulfonyl)methyl)-1,4-difluorobenzene

생성물 1

HCID 23114791
4-[[(4-Chlorophenyl)sulfonyl](2,5-difluorophenyl)methyl]tetrahydrothiopyran

출처 및 근거

ORD 기록
ord-1a7c4da2aac04b7ba8ad7293124e6c21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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