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Acetic Acid → 6-fluoro-3-[4-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

HRID 951784
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HRID 951784 반응식
[C:39]([BH3-:40])#[N:41].[C:61]([OH:62])(=[O:63])[CH3:64].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:58][OH:59].[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[CH:13]=[C:14]([c:19]2[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]2)[C:15]([CH3:17])([CH3:18])[O:16]1.[N:27]1([CH2:33][CH2:34][O:35][CH2:36][CH2:37][OH:38])[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]1.[Na+:42].[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:60]>>[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[CH:13]=[C:14]([c:19]2[cH:20][cH:21][c:22]([CH2:23][N:30]3[CH2:29][CH2:28][N:27]([CH2:33][CH2:34][O:35][CH2:36][CH2:37][OH:38])[CH2:32][CH2:31]3)[cH:25][cH:26]2)[C:15]([CH3:17])([CH3:18])[O:16]1
참가 물질출처 및 근거반응 노트

참가 물질

11

반응물 10

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 962WaterHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 1394361-[2-(2-Hydroxyethoxy)ethyl]piperazine
HCID 498716Cyano-borohydride
HCID 724647644-[5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]benzaldehyde

생성물 1

HCID 694098326-fluoro-3-[4-[4-[[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methyl]phenyl]-5,5-dimethylfuran-2-ylidene]-1H-indol-2-one

출처 및 근거

ORD 기록
ord-f882dba17cfa494b9e88b230bb319f38
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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