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Hydrochloric Acid → Methyl (3-{N-[(5-bromopyridin-3-yl)carbonyl]-S-methylsulfonimidoyl}phenyl)acetate

HRID 2155420
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반응식

HRID 2155420 반응식
[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[CH3:11][S:12](=[O:13])(=[NH:14])[c:15]1[cH:16][c:17]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19][cH:20]1.[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[ClH:26].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:7](=[O:9])[N:14]=[S:12]([CH3:11])(=[O:13])[c:15]2[cH:16][c:17]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19][cH:20]2)[cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 887075-Bromonicotinic acidHCID 57657973methyl [3-(S-methylsulfonimidoyl)phenyl]acetate

생성물 1

HCID 57657931Methyl (3-{N-[(5-bromopyridin-3-yl)carbonyl]-S-methylsulfonimidoyl}phenyl)acetate

출처 및 근거

ORD 기록
ord-b9eb42f29cfb468eb34e5e47b677acb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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