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Dimethyl Sulfoxide → N-(5-chloropyridin-2-yl)-2-[((4-(((diethylamino)oxy)methyl)-3-chlorothiophen-2-yl)carbonyl)amino]-3-methoxy-5-chlorobenzamide

HRID 180431
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반응식

HRID 180431 반응식
[CH2:1]([CH3:2])[N:3]([OH:4])[CH2:5][CH3:6].[CH3:37][S:38]([CH3:39])=[O:40].[Cl:7][c:8]1[cH:9][cH:10][c:11]([NH:14][C:15]([c:16]2[c:17]([NH:25][C:26](=[O:27])[c:28]3[s:29][cH:30][c:31]([CH2:34][Cl:35])[c:32]3[Cl:33])[c:18]([O:23][CH3:24])[cH:19][c:20]([Cl:22])[cH:21]2)=[O:36])[n:12][cH:13]1.[K+:41].[K+:42].[O-:43][C:44]([O-:45])=[O:46].[OH2:47]>>[CH2:1]([CH3:2])[N:3]([O:4][CH2:34][c:31]1[cH:30][s:29][c:28]([C:26]([NH:25][c:17]2[c:16]([C:15]([NH:14][c:11]3[cH:10][cH:9][c:8]([Cl:7])[cH:13][n:12]3)=[O:36])[cH:21][c:20]([Cl:22])[cH:19][c:18]2[O:23][CH3:24])=[O:27])[c:32]1[Cl:33])[CH2:5][CH3:6]
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반응물 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 962WaterHCID 19463DiethylhydroxylamineHCID 19660Carbonate IonHCID 16731661N-(5-chloropyridin-2-yl)-2-[((4-(chloromethyl)-3-chlorothiophen-2-yl)carbonyl)amino]-3-methoxy-5-chlorobenzamide

생성물 1

HCID 18376699
N-(5-chloropyridin-2-yl)-2-[((4-(((diethylamino)oxy)methyl)-3-chlorothiophen-2-yl)carbonyl)amino]-3-methoxy-5-chlorobenzamide

출처 및 근거

ORD 기록
ord-2ee398c82ae241a5a676c73d39981c0b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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