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Dichloromethane → N-(4-chloro-2-formyl-5-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)phenyl)-4-(dimethylamino)benzamide

HRID 1217404
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HRID 1217404 반응식
[Cl:1][c:2]1[cH:3][c:4]([CH2:42][OH:43])[c:5]([NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([N:38]([CH3:39])[CH3:40])[cH:36][cH:37]2)=[O:41])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[c:17](-[c:22]3[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]3)[n:18][o:19][c:20]2[CH3:21])[CH2:12][CH2:13]1.[Cl:55][CH2:56][Cl:57].[O:44]=[Cr:45]([Cl:46])([O-:47])=[O:48].[nH+:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:42]=[O:43])[c:5]([NH:30][C:31]([c:32]2[cH:33][cH:34][c:35]([N:38]([CH3:39])[CH3:40])[cH:36][cH:37]2)=[O:41])[cH:6][c:7]1[N:8]1[CH2:9][CH2:10][N:11]([C:14](=[O:15])[c:16]2[c:17](-[c:22]3[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]3)[n:18][o:19][c:20]2[CH3:21])[CH2:12][CH2:13]1
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5

반응물 4

HCID 6344DichloromethaneHCID 4989215PyridiniumHCID 66691603N-(4-Chloro-2-(hydroxymethyl)-5-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)phenyl)-4-(dimethylamino)benzamideHCID 178418299HCID 178418299, 화합물

생성물 1

HCID 86670897N-(4-chloro-2-formyl-5-(4-(3-(2-methoxyphenyl)-5-methylisoxazole-4-carbonyl)piperazin-1-yl)phenyl)-4-(dimethylamino)benzamide

출처 및 근거

ORD 기록
ord-a060b12ccd2f40ca8fb9ee173c9ebd57
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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