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Potassium Cation → 4-(tert-butyl)-N-{3-(2-hydroxyethoxy)-1-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-[(2-methoxyethoxy)methyl]benzenesulfonamide

HRID 1201107
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HRID 1201107 반응식
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:43])[c:11]([N:23]([CH2:24][O:25][CH2:26][CH2:27][O:28][CH3:29])[S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][c:36]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:37][cH:38]2)[c:12]1-[c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][OH:51].[K+:48].[K+:49].[OH2:52]>>[OH:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:43])[c:11]([N:23]([CH2:24][O:25][CH2:26][CH2:27][O:28][CH3:29])[S:30](=[O:31])(=[O:32])[c:33]2[cH:34][cH:35][c:36]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:37][cH:38]2)[c:12]1-[c:13]1[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]1
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반응물 5

HCID 813Potassium Cation2회HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 222819502-({5-{{[4-(tert-butyl)phenyl]sulfonyl}[(2-methoxyethoxy)methyl]amino}-1-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}oxy)ethyl Acetate

생성물 1

HCID 22281966
4-(tert-butyl)-N-{3-(2-hydroxyethoxy)-1-methyl-4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-N-[(2-methoxyethoxy)methyl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-53d98c1e9f584bd88b5652aae3f6bb9f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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