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Isopropanol → Isopropyl 4-(acetylamino)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

HRID 684068
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HRID 684068 반응식
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([C:32](=[O:33])[O:34][CH3:35])[c:7](=[O:31])[n:8]([CH3:30])[c:9]2[n:10][c:11](-[c:22]3[c:23]([Cl:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[c:12](-[c:15]3[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[cH:13][c:14]12.[C:36](=[O:37])([O-:38])[O-:39].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:42]([CH3:43])([CH3:44])[OH:45].[Cs+:40].[Cs+:41]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([C:32](=[O:33])[O:45][CH:42]([CH3:43])[CH3:44])[c:7](=[O:31])[n:8]([CH3:30])[c:9]2[n:10][c:11](-[c:22]3[c:23]([Cl:29])[cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[c:12](-[c:15]3[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]3)[cH:13][c:14]12
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반응물 5

HCID 3776IsopropanolHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 11307094Methyl 4-(acetylamino)-6(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

생성물 1

HCID 11157227
Isopropyl 4-(acetylamino)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

출처 및 근거

ORD 기록
ord-34ca3593570e4416b9c72204781f69ff
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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