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Hydrochloric Acid → 8-(5-Fluoro-2-methylphenoxymethyl)-7-(4-hydroxy-2-methoxyphenyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one

HRID 114463
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HRID 114463 반응식
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][c:12]([O:40][CH3:41])[c:13](-[c:16]2[cH:17][cH:18][c:19]3[c:24]([c:25]2[CH2:26][O:27][c:28]2[c:29]([CH3:35])[cH:30][cH:31][c:32]([F:34])[cH:33]2)[N:23]([CH3:36])[C:22](=[O:37])[C:21]([CH3:38])([CH3:39])[NH:20]3)[cH:14][cH:15]1.[CH3:46][OH:47].[ClH:45].[Na+:43].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:42].[OH2:44]>>[OH:9][c:10]1[cH:11][c:12]([O:40][CH3:41])[c:13](-[c:16]2[cH:17][cH:18][c:19]3[c:24]([c:25]2[CH2:26][O:27][c:28]2[c:29]([CH3:35])[cH:30][cH:31][c:32]([F:34])[cH:33]2)[N:23]([CH3:36])[C:22](=[O:37])[C:21]([CH3:38])([CH3:39])[NH:20]3)[cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 576718857-(4-Benzoyloxy-2-methoxyphenyl)-8-(5-fluoro-2-methylphenoxymethyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one

생성물

1
HCID 252112638-(5-Fluoro-2-methylphenoxymethyl)-7-(4-hydroxy-2-methoxyphenyl)-1,3,3-trimethyl-3,4-dihydro-1H-quinoxalin-2-one

출처 및 근거

ORD 기록
ord-38640810855c48f492d5ff3f6abc0eaf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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