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Acetate → 5-(2,2-Difluoro-ethoxy)-7-chloro-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

HRID 99991
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HRID 99991 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:8]([c:9]([Cl:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[CH2:5]2.[C:25](=[O:26])([O-:27])[O-:28].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cs+:29].[Cs+:30].[F:31][CH:32]([CH2:33][OH:34])[F:35].[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[Pd+2:43]>>[c:2]1([O:34][CH2:33][CH:32]([F:31])[F:35])[cH:3][c:4]2[c:8]([c:9]([Cl:11])[cH:10]1)[C:7](=[O:12])[N:6]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]1)[CH2:5]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175Acetate2회HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1361872,2-Difluoroethan-1-olHCID 11704475
5-Bromo-7-chloro-2-(4-trifluoromethoxybenzyl)-2,3-dihydroisoindol-1-one

생성물 1

HCID 866356765-(2,2-Difluoro-ethoxy)-7-chloro-2-(4-trifluoromethoxy-benzyl)-2,3-dihydro-isoindol-1-one

출처 및 근거

ORD 기록
ord-145dbb848a2747f08afabf08ff38c41a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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