Citrate → N-[2-(3,4-Difluorophenyl)-4-[4-[2-methylsulfonylphenyl]-1-piperidinyl]butyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide

HRID 118019

반응식

HRID 118019 반응식
[C:44]([O-:45])(=[O:46])[CH2:47][C:48]([CH2:49][C:50]([O-:51])=[O:52])([C:53]([O-:54])=[O:55])[OH:56].[CH3:28][S:29](=[O:30])(=[O:31])[c:32]1[c:33]([CH:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[cH:34][cH:35][cH:36][cH:37]1.[F:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][c:18]3[c:23]2[CH2:22][CH2:21][CH2:20][CH2:19]3)[CH3:24])[CH2:25][CH:26]=[O:27])[cH:5][cH:6][c:7]1[F:8]>>[F:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][N:11]([C:12](=[O:13])[c:14]2[cH:15][cH:16][cH:17][c:18]3[c:23]2[CH2:22][CH2:21][CH2:20][CH2:19]3)[CH3:24])[CH2:25][CH2:26][N:41]2[CH2:40][CH2:39][CH:38]([c:33]3[c:32]([S:29]([CH3:28])(=[O:30])=[O:31])[cH:37][cH:36][cH:35][cH:34]3)[CH2:43][CH2:42]2)[cH:5][cH:6][c:7]1[F:8]

참가 물질

4

반응물 3

HCID 31348CitrateHCID 224526684-(2-(Methylsulfonyl)phenyl)piperidineHCID 22452683N-[2-(3,4-difluorophenyl)-4-oxobutyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide

생성물 1

HCID 22452689N-[2-(3,4-Difluorophenyl)-4-[4-[2-methylsulfonylphenyl]-1-piperidinyl]butyl]-N-methyl-5,6,7,8-tetrahydro-1-naphthamide

출처 및 근거

ORD 기록
ord-84a8fb7d39aa4480885250481edefe25
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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