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Potassium Cation → N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

HRID 211998
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HRID 211998 반응식
[Br:25][CH2:26][c:27]1[c:28]([O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:29][cH:30][c:31]([Cl:33])[cH:32]1.[C:19](=[O:20])([O-:21])[O-:22].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[n:8][nH:9][cH:10][cH:11]2)[c:12]([F:16])[cH:13][cH:14][cH:15]1.[I-:18].[K+:23].[K+:24].[Na+:17].[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[n:8][n:9]([CH2:26][c:27]3[c:28]([O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[cH:29][cH:30][c:31]([Cl:33])[cH:32]3)[cH:10][cH:11]2)[c:12]([F:16])[cH:13][cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 923Sodium IonHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 221055531-(Benzyloxy)-2-(bromomethyl)-4-chlorobenzeneHCID 178522346HCID 178522346, 화합물

생성물 1

HCID 46947749N-[1-({5-chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

출처 및 근거

ORD 기록
ord-9f23f7948ff54d428e938ec8569a2726
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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