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Methanol → Methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-{[3,4-dioxo-2-(propylamino)-1-cyclobuten-1-yl]amino}propanoate

HRID 2130416
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반응식

HRID 2130416 반응식
[CH2:36]([CH2:37][CH3:38])[NH2:39].[CH3:45][OH:46].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[cH:12][cH:13][c:14]([CH2:19][CH:20]([C:21](=[O:22])[O:23][CH3:24])[NH:25][c:26]4[c:27]([O:32][CH:33]([CH3:34])[CH3:35])[c:28](=[O:31])[c:29]4=[O:30])[cH:15][c:16]3[cH:17][cH:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:47]>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[cH:12][cH:13][c:14]([CH2:19][CH:20]([C:21](=[O:22])[O:23][CH3:24])[NH:25][c:26]4[c:27]([NH:39][CH2:36][CH2:37][CH3:38])[c:28](=[O:31])[c:29]4=[O:30])[cH:15][c:16]3[cH:17][cH:18]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1
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참가 물질

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반응물 5

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 7852PropylamineHCID 57987604Methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-[(2-isopropoxy-3,4-dioxo-1-cyclobuten-1-yl)amino]propanoate

생성물 1

HCID 57987645Methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-{[3,4-dioxo-2-(propylamino)-1-cyclobuten-1-yl]amino}propanoate

출처 및 근거

ORD 기록
ord-d44e560a2c2346b59c9aacc9f4408115
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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