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Ammonium → tert-butyl 3-[2-(acetyloxy)ethoxy]-5-({[4-(tert-butyl)phenyl]sulfonyl}amino)-1-methyl-1H-pyrazole-4-carboxylate

HRID 285352
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반응식

HRID 285352 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:21])[c:11]([NH2:20])[c:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19].[C:24]([CH3:25])([CH3:26])([CH3:27])[c:28]1[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[Cl:37])[cH:32][cH:33]1.[Cl-:38].[H-:22].[NH4+:39].[Na+:23].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:45]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[n:9][n:10]([CH3:21])[c:11]([NH:20][S:34]([c:31]2[cH:30][cH:29][c:28]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:33][cH:32]2)(=[O:35])=[O:36])[c:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 1398824-t-Butylbenzenesulfonyl chlorideHCID 166653Hydride
HCID 22281904
tert-butyl 3-[2-(acetyloxy)ethoxy]-5-amino-1-methyl-1H-pyrazole-4-carboxylate

생성물 1

HCID 22282018tert-butyl 3-[2-(acetyloxy)ethoxy]-5-({[4-(tert-butyl)phenyl]sulfonyl}amino)-1-methyl-1H-pyrazole-4-carboxylate

출처 및 근거

ORD 기록
ord-773bb5f92a464d42bae92e46c625068e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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