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Hydrochloric Acid → C,C,C-Trifluoro-N-{3-[6-(5-fluorobenzothiazol-2-ylmethoxy)-2-methyl-4-oxo-4H-chromen-3-ylmethyl]phenyl}methanesulfonamide

HRID 667746
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HRID 667746 반응식
[C:29](=[O:30])([O-:31])[O-:32].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[Cl:35][CH2:36][c:37]1[s:38][c:39]2[c:40]([n:41]1)[cH:42][c:43]([F:46])[cH:44][cH:45]2.[ClH:47].[F:1][C:2]([S:3](=[O:4])(=[O:5])[NH:6][c:7]1[cH:8][c:9]([CH2:13][c:14]2[c:15]([CH3:26])[o:16][c:17]3[cH:18][cH:19][c:20]([OH:25])[cH:21][c:22]3[c:23]2=[O:24])[cH:10][cH:11][cH:12]1)([F:27])[F:28].[K+:33].[K+:34].[OH2:53]>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[NH:6][c:7]1[cH:8][c:9]([CH2:13][c:14]2[c:15]([CH3:26])[o:16][c:17]3[cH:18][cH:19][c:20]([O:25][CH2:36][c:37]4[s:38][c:39]5[c:40]([n:41]4)[cH:42][c:43]([F:46])[cH:44][cH:45]5)[cH:21][c:22]3[c:23]2=[O:24])[cH:10][cH:11][cH:12]1)([F:27])[F:28]
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참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 142042102-(Chloromethyl)-5-fluoro-1,3-benzothiazoleHCID 19039977C,C,C-Trifluoro-N-[3-(6-hydroxy-2-methyl-4-oxo-4H-chromen-3-yl-methyl)phenyl]methanesulfonamide

생성물 1

HCID 19039946C,C,C-Trifluoro-N-{3-[6-(5-fluorobenzothiazol-2-ylmethoxy)-2-methyl-4-oxo-4H-chromen-3-ylmethyl]phenyl}methanesulfonamide

출처 및 근거

ORD 기록
ord-2b75a38d378f4e41a7f02850c18fe054
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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