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Dimethylformamide → 3-(8-(2-chlorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-N-(isoxazol-3-yl)-4-methylbenzamide

HRID 142653
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HRID 142653 반응식
[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:10]([cH:11][n:12][n:13]2)[cH:14][c:15](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[OH:25])[cH:26][cH:27][c:28]2[CH3:29])[c:16](=[O:19])[n:17]3[CH3:18])[cH:4][cH:5][cH:6][cH:7]1.[Cl:30][C:31]([C:32]([Cl:33])=[O:34])=[O:35].[Cl:51][CH2:52][Cl:53].[NH2:36][c:37]1[n:38][o:39][cH:40][cH:41]1.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Cl:1][c:2]1[c:3](-[c:8]2[c:9]3[c:10]([cH:11][n:12][n:13]2)[cH:14][c:15](-[c:20]2[cH:21][c:22]([C:23](=[O:24])[NH:36][c:37]4[n:38][o:39][cH:40][cH:41]4)[cH:26][cH:27][c:28]2[CH3:29])[c:16](=[O:19])[n:17]3[CH3:18])[cH:4][cH:5][cH:6][cH:7]1
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반응물 6

HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 18102163-IsoxazolamineHCID 468558533-(8-(2-Chlorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-4-methylbenzoic acid

생성물 1

HCID 46183916
3-(8-(2-chlorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazin-3-yl)-N-(isoxazol-3-yl)-4-methylbenzamide

출처 및 근거

ORD 기록
ord-2673d41e9bcb48e1ab9aea9cc3ef5e28
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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