4-Chloro-o-anisic acid → (+/-)-4-Fluoro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-5,6,8,9-tetrahydro-4H-7-oxa-1,4a-diaza-benzocyclohepten-9-yl)-benzamide

HRID 106689

반응식

HRID 106689 반응식
[Cl:32][c:33]1[cH:34][cH:35][c:36]([C:37]([OH:38])=[O:39])[c:40]([O:41][CH3:42])[cH:43]1.[F:20][c:21]1[cH:22][c:23]([O:30][CH3:31])[c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29]1.[NH2:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][n:7]2[c:8]1[n:9][c:10](-[c:14]1[cH:15][cH:16][n:17][cH:18][cH:19]1)[cH:11][c:12]2=[O:13]>>[NH:1]([CH:2]1[CH2:3][O:4][CH2:5][CH2:6][n:7]2[c:8]1[n:9][c:10](-[c:14]1[cH:15][cH:16][n:17][cH:18][cH:19]1)[cH:11][c:12]2=[O:13])[C:25]([c:24]1[c:23]([O:30][CH3:31])[cH:22][c:21]([F:20])[cH:29][cH:28]1)=[O:26]

참가 물질

4

반응물 3

HCID 936824-Chloro-o-anisic acidHCID 27745454-Fluoro-2-methoxybenzoic acidHCID 66846193(+/-) 9-Amino-2-pyridin-4-yl-5,6,8,9-tetrahydro-7-oxa-1,4a-diaza-benzocyclohepten-4-one

생성물 1

HCID 44159612(+/-)-4-Fluoro-2-methoxy-N-(4-oxo-2-pyridin-4-yl-5,6,8,9-tetrahydro-4H-7-oxa-1,4a-diaza-benzocyclohepten-9-yl)-benzamide

출처 및 근거

ORD 기록
ord-3834cfe7c8ec4d689f326075ff69354b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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