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Hydrochloric Acid → Ethyl (4-{[5-bromo-4-(methylthio)pyrimidin-2-yl]amino}phenyl)(methyl)oxido-lambda-sulfanylidenecarbamate

HRID 1228771
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HRID 1228771 반응식
[Br:17][c:18]1[c:19]([S:25][CH3:26])[n:20][c:21]([Cl:24])[n:22][cH:23]1.[C:35](#[N:36])[CH3:37].[ClH:27].[NH2:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[N:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH3:16])[cH:6][cH:7]1.[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[OH2:34]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[N:10][C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH3:16])[cH:6][cH:7]1)[c:21]1[n:20][c:19]([S:25][CH3:26])[c:18]([Br:17])[cH:23][n:22]1
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반응물 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 312751,4-DioxaneHCID 122647965-Bromo-2-chloro-4-(methylthio)pyrimidineHCID 44122615Ethyl [(4-aminophenyl)(methyl)oxido-sulfanylidene]carbamate

생성물 1

HCID 50742701Ethyl (4-{[5-bromo-4-(methylthio)pyrimidin-2-yl]amino}phenyl)(methyl)oxido-lambda-sulfanylidenecarbamate

출처 및 근거

ORD 기록
ord-72715ba796da4fe8b658ac918dd31f89
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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