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Tetrahydrofuran → 2-(2-cyclopentyl-1-{3-fluoro-4-[1-methyl-1-(tetrahydro-pyran-2-yloxy)-ethyl]-phenyl}-vinyl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

HRID 156382
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인쇄 미리보기

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HRID 156382 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10]1)[n:11]([S:38]([c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)(=[O:45])=[O:46])[c:12]([C:14](=[CH:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[c:21]1[cH:22][c:23]([F:37])[c:24]([C:27]([CH3:28])([O:29][CH:30]3[O:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[CH3:36])[cH:25][cH:26]1)[cH:13]2.[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[F-:47].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10]1)[nH:11][c:12]([C:14](=[CH:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[c:21]1[cH:22][c:23]([F:37])[c:24]([C:27]([CH3:28])([O:29][CH:30]3[O:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[CH3:36])[cH:25][cH:26]1)[cH:13]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 672286871-benzenesulfonyl-2-(2-cyclopentyl-1-{3-fluoro-4-[1-methyl-1-(tetrahydro-pyran-2-yloxy)-ethyl]-phenyl}-vinyl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

생성물 1

HCID 67228567
2-(2-cyclopentyl-1-{3-fluoro-4-[1-methyl-1-(tetrahydro-pyran-2-yloxy)-ethyl]-phenyl}-vinyl)-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-bc3e0f87da5b4365a7bae4ef2ce1ed97
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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