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Hydrochloric Acid → Methyl 2-[[7-benzoyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-oxo-1,6,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]-3-(4-pyridin-4-yloxyphenyl)propanoate

HRID 1548690
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HRID 1548690 반응식
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][c:20]2[CH2:21][CH:22]1[C:23](=[O:24])[OH:25])[NH:17][C:16](=[O:26])[CH:15]([c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]2[cH:36][c:37]([Cl:42])[c:38]([Cl:41])[cH:39][cH:40]2)[cH:31][cH:32]1)[O:14]3.[CH3:45][O:46][C:47]([CH:48]([CH2:49][c:50]1[cH:51][cH:52][c:53]([O:56][c:57]2[cH:58][cH:59][n:60][cH:61][cH:62]2)[cH:54][cH:55]1)[NH2:63])=[O:64].[ClH:43].[ClH:44]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH2:10][c:11]2[cH:12][c:13]3[c:18]([cH:19][c:20]2[CH2:21][CH:22]1[C:23](=[O:24])[NH:63][CH:48]([C:47]([O:46][CH3:45])=[O:64])[CH2:49][c:50]1[cH:51][cH:52][c:53]([O:56][c:57]2[cH:58][cH:59][n:60][cH:61][cH:62]2)[cH:54][cH:55]1)[NH:17][C:16](=[O:26])[CH:15]([c:27]1[cH:28][cH:29][c:30]([O:33][CH2:34][c:35]2[cH:36][c:37]([Cl:42])[c:38]([Cl:41])[cH:39][cH:40]2)[cH:31][cH:32]1)[O:14]3
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반응물 3

HCID 313Hydrochloric Acid2회HCID 66719679Methyl 2-amino-3-(4-pyridin-4-yloxyphenyl)propanoateHCID 669231717-Benzoyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-oxo-1,6,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-8-carboxylic acid

생성물 1

HCID 66922894Methyl 2-[[7-benzoyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-oxo-1,6,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-8-carbonyl]amino]-3-(4-pyridin-4-yloxyphenyl)propanoate

출처 및 근거

ORD 기록
ord-4f3bd0aec7c34eae96842e8bf13cf1db
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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