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Hydrochloric Acid → 4-(2-Hydroxy-3-methyl-benzoylamino)-tetrahydro-thiopyran-4-carboxylic acid methyl ester

HRID 303979
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반응식

HRID 303979 반응식
[CH3:2][O:3][C:4](=[O:5])[C:6]1([NH2:12])[CH2:7][CH2:8][S:9][CH2:10][CH2:11]1.[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[ClH:1].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH:13][c:14]1[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][cH:21][c:22]1[CH3:23].[P-:24]([F:25])([F:26])([F:27])([F:28])([F:29])[F:30].[n:31]1([O:32][C:33]([N:34]([CH3:35])[CH3:36])=[N+:37]([CH3:38])[CH3:39])[c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1>>[CH3:2][O:3][C:4](=[O:5])[C:6]1([NH:12][C:16]([c:15]2[c:14]([OH:13])[c:22]([CH3:23])[cH:21][cH:20][cH:19]2)=[O:17])[CH2:7][CH2:8][S:9][CH2:10][CH2:11]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 67383-Methylsalicylic AcidHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 15524434
Methyl 4-aminothiane-4-carboxylate

생성물 1

HCID 593142624-(2-Hydroxy-3-methyl-benzoylamino)-tetrahydro-thiopyran-4-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-ad40b001ae2045bca03a73948bff97df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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