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Potassium Cation → Diethyl {[(5-benzylaminocarbonyl-naphthalen-2-yl)-(3,5-dichloro-phenylsulphonyl)-amino]-methyl}-phosphonate

HRID 666413
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HRID 666413 반응식
[C:50](=[O:51])([O-:52])[O-:53].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][c:17]([NH:21][S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[cH:18][cH:19][c:20]12.[CH2:33]([CH3:34])[O:35][P:36](=[O:37])([O:38][CH2:39][CH3:40])[CH2:41][O:42][S:43]([C:44]([F:45])([F:46])[F:47])(=[O:48])=[O:49].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[K+:54].[K+:55]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][c:17]([N:21]([S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([Cl:32])[cH:28][c:29]([Cl:31])[cH:30]3)[CH2:41][P:36]([O:35][CH2:33][CH3:34])(=[O:37])[O:38][CH2:39][CH3:40])[cH:18][cH:19][c:20]12
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7

반응물 6

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 11833487(Diethoxyphosphoryl)methyl trifluoromethanesulfonateHCID 595341116-(3,5-Dichloro-phenylsulphonylamino)-naphthalene-1-carboxylic acid-benzylamide

생성물 1

HCID 59534062
Diethyl {[(5-benzylaminocarbonyl-naphthalen-2-yl)-(3,5-dichloro-phenylsulphonyl)-amino]-methyl}-phosphonate

출처 및 근거

ORD 기록
ord-95052ca660664300b5d446d6f2087ba3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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