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Potassium Cation → N-(3,5-Bis-trifluoromethyl-benzyl)-6-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-N-methyl-4-o-tolyl-nicotinamide

HRID 281448
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HRID 281448 반응식
[C:46](=[O:47])([O-:48])[O-:49].[CH3:54][C:55]#[N:56].[Cl:39][CH2:40][CH2:41][O:42][CH2:43][CH2:44][OH:45].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:28])[CH3:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38].[K+:50].[K+:51].[Na+:53].[OH-:52]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([C:8]([c:9]2[cH:10][n:11][c:12]([N:22]3[CH2:23][CH2:24][N:25]([CH2:40][CH2:41][O:42][CH2:43][CH2:44][OH:45])[CH2:26][CH2:27]3)[cH:13][c:14]2-[c:15]2[c:16]([CH3:21])[cH:17][cH:18][cH:19][cH:20]2)=[O:28])[CH3:29])[cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:37])[F:38]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 961HydroxideHCID 6342AcetonitrileHCID 123612-(Chloroethoxy)ethanolHCID 19660Carbonate IonHCID 10280286N-(3,5-bis-trifluoromethyl-benzyl)-N-methyl-6-piperazin-1-yl-4-o-tolyl-nicotinamide

생성물 1

HCID 10121915N-(3,5-Bis-trifluoromethyl-benzyl)-6-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-N-methyl-4-o-tolyl-nicotinamide

출처 및 근거

ORD 기록
ord-a1ace13d61e043af9ca45b794bcbe08b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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