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Dimethyl Sulfoxide → 8-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-ylmethyl]-2-trifluoromethyl-7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene

HRID 2125449
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HRID 2125449 반응식
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH:13]2[CH2:14][O:15][c:16]3[cH:17][cH:18][c:19]4[c:20]([c:21]3[O:22]2)[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[nH:25]4)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:46][S:47]([CH3:48])=[O:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[F:30][c:31]1[cH:32][c:33]2[c:34]([C:40]3=[CH:45][CH2:44][NH:43][CH2:42][CH2:41]3)[cH:35][nH:36][c:37]2[cH:38][cH:39]1>>[CH2:12]([CH:13]1[CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]3[c:20]([c:21]2[O:22]1)[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[nH:25]3)[N:43]1[CH2:42][CH2:41][C:40]([c:34]2[c:33]3[cH:32][c:31]([F:30])[cH:39][cH:38][c:37]3[nH:36][cH:35]2)=[CH:45][CH2:44]1
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참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 113449595-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoleHCID 22341388(2-Trifluoromethyl-7,8-dihydro-3H-6,9-dioxa-1,3-diazacyclopenta[a]naphthalen-8-yl)methyl 4-methylbenzenesulfonate

생성물 1

HCID 102272018-[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-ylmethyl]-2-trifluoromethyl-7,8-dihydro-3H-6,9-dioxa-1,3-diaza-cyclopenta[a]naphthalene

출처 및 근거

ORD 기록
ord-424084d049934988b337016894a07a8b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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