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Water → [2-({7-[2-Hydroxy-3-(4-methylpiperazino)propoxy]-6-methoxy-4-quinolyl}oxy)-5-methylphenyl](phenyl)methanone

HRID 1229266
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HRID 1229266 반응식
[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[c:20]([C:26](=[O:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH:15]1[O:16][CH2:17]1.[CH3:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[OH2:41]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([O:18][c:19]3[c:20]([C:26](=[O:27])[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[cH:21][c:22]([CH3:25])[cH:23][cH:24]3)[cH:7][cH:8][n:9][c:10]2[cH:11][c:12]1[O:13][CH2:14][CH:15]([OH:16])[CH2:17][N:38]1[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 962WaterHCID 6228DimethylformamideHCID 531671-MethylpiperazineHCID 57756552(2-{[6-Methoxy-7-(2-oxiranylmethoxy)-4-quinolyl]oxy}-5-methylphenyl)(phenyl)methanone

생성물 1

HCID 57756595[2-({7-[2-Hydroxy-3-(4-methylpiperazino)propoxy]-6-methoxy-4-quinolyl}oxy)-5-methylphenyl](phenyl)methanone

출처 및 근거

ORD 기록
ord-6cae1562d0bb4d87959b1eac77b016ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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