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Acetate → Isopropyl 4-[1-{4-[[di(tert-butoxy)phosphoryl](difluoro)methyl]benzyl}-2-(4-fluorophenyl)-2-oxoethyl]benzoate

HRID 1126337
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HRID 1126337 반응식
[Br:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[P:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[cH:35][cH:36]1.[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:23][C:24]([CH3:25])([O-:26])[CH3:27].[CH3:53][C:54](=[O:55])[O-:56].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][cH:8][c:9]([CH2:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[cH:10][cH:11]1)=[O:22].[K+:28].[NH4+:52]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([c:6]1[cH:7][cH:8][c:9]([CH:12]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:21])[cH:19][cH:20]2)[CH2:30][c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[P:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:51])[cH:35][cH:36]2)[cH:10][cH:11]1)=[O:22]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175AcetateHCID 223AmmoniumHCID 813Potassium CationHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 15922636Di(tert-butyl) [4-(bromomethyl)phenyl](difluoro)methylphosphonateHCID 18510263Isopropyl-4-[2-(4-fluorophenyl)-2-oxoethyl]benzoate

생성물 1

HCID 18510274Isopropyl 4-[1-{4-[[di(tert-butoxy)phosphoryl](difluoro)methyl]benzyl}-2-(4-fluorophenyl)-2-oxoethyl]benzoate

출처 및 근거

ORD 기록
ord-858aa0eb99b147cb82e6eaeb60a2d2bc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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