Methyl 3,3-dimethyl-4-pentenoate → 3-Methyl-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-butyric acid methyl ester

HRID 207172

반응식

HRID 207172 반응식
[CH3:11][c:12]1[n:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]([CH2:22][O:23][c:24]2[cH:25][cH:26][c:27]([CH:28]=[N:29][OH:30])[cH:31][cH:32]2)[cH:21]1.[CH3:1][O:2][C:3]([CH2:4][C:5]([CH:6]=[CH2:7])([CH3:8])[CH3:9])=[O:10]>>[CH3:1][O:2][C:3]([CH2:4][C:5]([CH:6]1[CH2:7][C:28]([c:27]2[cH:26][cH:25][c:24]([O:23][CH2:22][c:20]3[c:19]4[c:14]([n:13][c:12]([CH3:11])[cH:21]3)[cH:15][cH:16][cH:17][cH:18]4)[cH:32][cH:31]2)=[N:29][O:30]1)([CH3:8])[CH3:9])=[O:10]

참가 물질

3

반응물 2

HCID 114129Methyl 3,3-dimethyl-4-pentenoateHCID 738530794-(2-Methyl-quinolin-4-ylmethoxy)-benzaldehyde oxime

생성물 1

HCID 696397723-Methyl-3-{3-[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-4,5-dihydro-isoxazol-5-yl}-butyric acid methyl ester

출처 및 근거

ORD 기록
ord-efed3e92b9234442944fcb37ca61938e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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