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2-Methyl-5-hydroxypyridine → 6-fluoro-3-(4-{4-[(6-methylpyridin-3-yl)oxy]phenyl}-1H-1,2,3-triazol-1-yl)-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

HRID 1557425
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반응식

HRID 1557425 반응식
[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][CH2:9][CH:10]([n:19]1[n:20][n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:31]4[c:32]([CH3:33])[n:34][cH:35][cH:36][cH:37]4)[cH:28][cH:29]3)[cH:23]1)[C:11](=[O:18])[N:12]2[CH2:13][C:14]([F:15])([F:16])[F:17].[OH:38][c:39]1[cH:40][cH:41][c:42]([CH3:45])[n:43][cH:44]1>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[CH2:8][CH2:9][CH:10]([n:19]1[n:20][n:21][c:22](-[c:24]3[cH:25][cH:26][c:27]([O:30][c:39]4[cH:40][cH:41][c:42]([CH3:45])[n:43][cH:44]4)[cH:28][cH:29]3)[cH:23]1)[C:11](=[O:18])[N:12]2[CH2:13][C:14]([F:15])([F:16])[F:17]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 142752-Methyl-5-hydroxypyridineHCID 468417266-fluoro-3-(4-{4-[(2-methylpyridin-3-yl)oxy]phenyl}-1H-1,2,3-triazol-1-yl)-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

생성물 1

HCID 580636006-fluoro-3-(4-{4-[(6-methylpyridin-3-yl)oxy]phenyl}-1H-1,2,3-triazol-1-yl)-1-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one

출처 및 근거

ORD 기록
ord-089f73b85f044b2599efd2041e62eb56
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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