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Sodium Ion → 4-(tert-butyl)-N-[3-{2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

HRID 176576
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HRID 176576 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[c:17]([O:21][CH2:22][CH2:23][OH:24])[n:18][n:19]2[CH3:20])[cH:9][cH:10]1.[CH3:50][C:51]([N:52]([CH3:53])[CH3:54])=[O:55].[Cl:34][c:35]1[cH:36][n:37][c:38]([S:41]([CH3:42])(=[O:43])=[O:44])[n:39][cH:40]1.[H-:32].[Na+:33].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[c:16](-[c:25]3[cH:26][cH:27][c:28]([CH3:31])[cH:29][cH:30]3)[c:17]([O:21][CH2:22][CH2:23][O:24][c:38]3[n:37][cH:36][c:35]([Cl:34])[cH:40][n:39]3)[n:18][n:19]2[CH3:20])[cH:9][cH:10]1
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참가 물질

8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 31374DimethylacetamideHCID 166653HydrideHCID 27277255-Chloro-2-methanesulfonylpyrimidineHCID 222820434-(tert-butyl)-N-[3-(2-hydroxyethoxy)-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

생성물 1

HCID 98506784-(tert-butyl)-N-[3-{2-[(5-chloro-2-pyrimidinyl)oxy]ethoxy}-1-methyl-4-(4-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

출처 및 근거

ORD 기록
ord-13ddc6537c5f4ea28c74ea857aed5d07
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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