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Potassium Cation → N,N-Dimethyl-2-{N-[N-(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]aminosulfonyl}-4-nitrobenzamide

HRID 702873
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HRID 702873 반응식
[CH3:16][CH2:17][CH2:18][CH2:19][N:20]([CH2:21][CH2:22][CH2:23][CH3:24])[CH2:25][CH2:26][CH2:27][CH3:28].[CH3:29][N:30]([C:31]([c:32]1[c:33]([S:41](=[O:42])(=[O:43])[NH2:44])[cH:34][c:35]([N+:38](=[O:39])[O-:40])[cH:36][cH:37]1)=[O:45])[CH3:46].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:1][C:2]([Cl:3])=[O:4].[K+:48].[NH2:5][c:6]1[n:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[n:11]1.[OH-:47].[OH2:55]>>[C:2](=[O:4])([NH:5][c:6]1[n:7][c:8]([O:14][CH3:15])[cH:9][c:10]([O:12][CH3:13])[n:11]1)[NH:44][S:41]([c:33]1[c:32]([C:31]([N:30]([CH3:29])[CH3:46])=[O:45])[cH:37][cH:36][c:35]([N+:38](=[O:39])[O-:40])[cH:34]1)(=[O:42])=[O:43]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 6371PhosgeneHCID 7622TributylamineHCID 8857Ethyl AcetateHCID 1189462-Amino-4,6-dimethoxypyrimidineHCID 22066001
N,N-Dimethyl-4-nitro-2-sulfamoylbenzamide

생성물 1

HCID 15335261N,N-Dimethyl-2-{N-[N-(4,6-dimethoxypyrimidin-2-yl)aminocarbonyl]aminosulfonyl}-4-nitrobenzamide

출처 및 근거

ORD 기록
ord-10dfb1106e604f7891e04d4f9b71a663
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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