Dabco → 2-Chloro-6-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-nicotinic acid methyl ester

HRID 183578

반응식

HRID 183578 반응식
[CH2:41]1[N:42]2[CH2:43][CH2:44][N:45]([CH2:46][CH2:47]2)[CH2:48]1.[CH3:29][O:30][C:31](=[O:32])[c:33]1[c:34]([Cl:40])[n:35][c:36]([Cl:39])[cH:37][cH:38]1.[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[c:3]([CH:9]([C:10]([C:11]([F:12])([F:13])[F:14])([OH:15])[c:16]2[cH:17][cH:18][c:19]3[c:20]([cH:27]2)[N:21]([CH3:26])[C:22](=[O:25])[CH2:23][O:24]3)[CH3:28])[cH:4][cH:5][c:6]([O:8][c:36]2[n:35][c:34]([Cl:40])[c:33]([C:31]([O:30][CH3:29])=[O:32])[cH:38][cH:37]2)[cH:7]1

참가 물질

4

반응물 3

HCID 9237DabcoHCID 11106516Methyl 2,6-dichloropyridine-3-carboxylateHCID 666972396-[(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

생성물 1

HCID 723101392-Chloro-6-{3-chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-nicotinic acid methyl ester

출처 및 근거

ORD 기록
ord-5e5e75b64bc448969ab0f7917dc38a85
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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