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Dimethyl Sulfoxide → tert-Butyl [6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(trifluoroacetyl)pyridin-2-yl]carbamate

HRID 1225860
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HRID 1225860 반응식
[C:22](=[O:23])([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[NH:29][CH2:30][CH2:31][NH2:32].[CH3:42][S:43]([CH3:44])=[O:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1.[OH2:52]>>[c:2]1([NH:32][CH2:31][CH2:30][NH:29][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:3][cH:4][c:5]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[c:6]([NH:8][C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:7]1
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참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 187201N-BOC-ethylenediamineHCID 57911758tert-Butyl[6-chloro-3-(trifluoroacetyl)pyridin-2-yl]carbamate

생성물 1

HCID 57911745
tert-Butyl [6-({2-[(tert-butoxycarbonyl)amino]ethyl}amino)-3-(trifluoroacetyl)pyridin-2-yl]carbamate

출처 및 근거

ORD 기록
ord-3eb88c81f7584b21a0db903bdd3e4cbd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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