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Dimethyl Sulfoxide → N-[1-({2-Chloro-4-[(7-hydroxyheptyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

HRID 292401
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HRID 292401 반응식
[Br:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][OH:40].[CH3:26][C:27]([CH3:28])([O-:29])[CH3:30].[CH3:41][C:42]#[N:43].[CH3:44][S:45]([CH3:46])=[O:47].[Cl:1][c:2]1[c:3]([CH2:9][n:10]2[n:11][c:12]([NH:15][C:16]([c:17]3[c:18]([F:24])[cH:19][cH:20][cH:21][c:22]3[F:23])=[O:25])[cH:13][cH:14]2)[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[K+:31]>>[Cl:1][c:2]1[c:3]([CH2:9][n:10]2[n:11][c:12]([NH:15][C:16]([c:17]3[c:18]([F:24])[cH:19][cH:20][cH:21][c:22]3[F:23])=[O:25])[cH:13][cH:14]2)[cH:4][cH:5][c:6]([O:8][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][OH:40])[cH:7]1
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HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 6342AcetonitrileHCID 662841-Heptanol, 7-bromo-HCID 45749132-Methylpropan-2-olateHCID 59547950N-{1-[(2-Chloro-4-hydroxyphenyl)methyl]-1H-pyrazol-3-yl}-2,6-difluorobenzamide

생성물 1

HCID 59547851
N-[1-({2-Chloro-4-[(7-hydroxyheptyl)oxy]phenyl}methyl)-1H-pyrazol-3-yl]-2,6-difluorobenzamide

출처 및 근거

ORD 기록
ord-7b385817feee4d5885c5c1ed6d4c31c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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