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Dimethyl Sulfoxide → 6-fluoro-3-[4-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-4-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

HRID 115347
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HRID 115347 반응식
[CH3:39][S:40]([CH3:41])=[O:42].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]1[O:13][C:14]([CH3:24])([CH3:25])[C:15]([c:17]2[cH:18][c:19]([F:23])[n:20][cH:21][cH:22]2)=[CH:16]1.[N:26]1([CH2:32][CH2:33][O:34][CH2:35][CH2:36][OH:37])[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[OH2:38]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]2=[C:12]1[O:13][C:14]([CH3:24])([CH3:25])[C:15]([c:17]2[cH:18][c:19]([N:29]3[CH2:28][CH2:27][N:26]([CH2:32][CH2:33][O:34][CH2:35][CH2:36][OH:37])[CH2:31][CH2:30]3)[n:20][cH:21][cH:22]2)=[CH:16]1
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참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 1394361-[2-(2-Hydroxyethoxy)ethyl]piperazineHCID 694010656-fluoro-3-[4-(2-fluoro-4-pyridinyl)-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

생성물 1

HCID 694094366-fluoro-3-[4-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-4-pyridinyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

출처 및 근거

ORD 기록
ord-558643d412e14e9fa04baca2822ed9d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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