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Hydrochloric Acid → 4-chloro-N-[5-chloro-2-(2-methanesulfonylamino-benzoyl)-pyridin-3-yl]-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide

HRID 90842
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HRID 90842 반응식
[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH3:35][S:36]([Cl:37])(=[O:38])=[O:39].[ClH:40].[F-:41].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:30])[cH:10][c:11]2[N:12]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:27][O:28][CH3:29])[cH:31][cH:32][cH:33][cH:34]1.[cH:59]1[cH:60][cH:61][n:62][cH:63][cH:64]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[c:6]2[n:7][cH:8][c:9]([Cl:30])[cH:10][c:11]2[N:12]([S:13](=[O:14])(=[O:15])[c:16]2[cH:17][c:18]([C:23]([F:24])([F:25])[F:26])[c:19]([Cl:22])[cH:20][cH:21]2)[CH2:27][O:28][CH3:29])[cH:31][cH:32][cH:33][cH:34]1)[S:36]([CH3:35])(=[O:38])=[O:39]
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 1049PyridineHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 31297Methanesulfonyl chlorideHCID 57942208N-[2-(2-amino-benzoyl)-5-chloro-pyridin-3-yl]-4-chloro-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide

생성물 1

HCID 66648950
4-chloro-N-[5-chloro-2-(2-methanesulfonylamino-benzoyl)-pyridin-3-yl]-N-methoxymethyl-3-trifluoromethyl-benzenesulfonamide

출처 및 근거

ORD 기록
ord-aec400b6922e46b4a560de2bf25bd905
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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