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Tetrahydrofuran → N-(1-{2-[3-(2-Methyl-quinolin-4-yl)-ureido]-ethyl}-piperidin-4-yl)-4-trifluoromethyl-benzenesulfonamide

HRID 305887
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HRID 305887 반응식
[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[Cl:12])[cH:7][cH:8]1)([F:13])[F:14].[NH2:15][CH:16]1[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][NH:24][C:25](=[O:26])[NH:27][c:28]2[cH:29][c:30]([CH3:38])[n:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]23)[CH2:20][CH2:21]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([S:9](=[O:10])(=[O:11])[NH:15][CH:16]2[CH2:17][CH2:18][N:19]([CH2:22][CH2:23][NH:24][C:25](=[O:26])[NH:27][c:28]3[cH:29][c:30]([CH3:38])[n:31][c:32]4[cH:33][cH:34][cH:35][cH:36][c:37]34)[CH2:20][CH2:21]2)[cH:7][cH:8]1)([F:13])[F:14]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 27773994-(Trifluoromethyl)benzenesulfonyl chlorideHCID 597159051-[2-(4-Amino-piperidin-1-yl)-ethyl]-3-(2-methyl-quinolin-4-yl)-urea

생성물 1

HCID 10289528N-(1-{2-[3-(2-Methyl-quinolin-4-yl)-ureido]-ethyl}-piperidin-4-yl)-4-trifluoromethyl-benzenesulfonamide

출처 및 근거

ORD 기록
ord-0f7b1346d2424455a297b85f2f3ec1fd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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