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Dimethyl Sulfoxide → 2-(4-(4-Fluoro-benzoyl)-piperidin-1-ylmethyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

HRID 2132399
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HRID 2132399 반응식
[C:62]([O:63][CH2:64][CH3:65])(=[O:66])[CH3:67].[CH3:68][CH2:69][CH2:70][CH2:71][CH2:72][CH3:73].[CH3:74][S:75]([CH3:76])=[O:77].[CH:53]([N:54]([CH:55]([CH3:56])[CH3:57])[CH2:58][CH3:59])([CH3:60])[CH3:61].[F:38][c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[CH:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[cH:51][cH:52]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH:12]2[CH2:13][O:14][c:15]3[c:16]([c:17]4[c:21]([cH:22][cH:23]3)[NH:20][C:19](=[O:24])[CH2:18]4)[O:25]2)(=[O:8])=[O:9])[cH:10][cH:26]1.[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1>>[CH2:11]([CH:12]1[CH2:13][O:14][c:15]2[c:16]([c:17]3[c:21]([cH:22][cH:23]2)[NH:20][C:19](=[O:24])[CH2:18]3)[O:25]1)[N:48]1[CH2:47][CH2:46][CH:45]([C:43]([c:42]2[cH:41][cH:40][c:39]([F:38])[cH:52][cH:51]2)=[O:44])[CH2:50][CH2:49]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 679Dimethyl SulfoxideHCID 6101p-Toluenesulfonic acidHCID 8058HexaneHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 15381105(8-Oxo-2,3,7,9-tetrahydro-[1,4]dioxino[2,3-e]indol-2-yl)methyl 4-methylbenzenesulfonate

생성물 1

HCID 543705752-(4-(4-Fluoro-benzoyl)-piperidin-1-ylmethyl]-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]indol-8-one

출처 및 근거

ORD 기록
ord-57570f951ce846cbb4232d43900222af
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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