Acetonitrile → {6-[5-(4-Chloro-phenyl)-isoxazol-3-ylmethoxy]-benzofuran-3-yl}-acetic acid methyl ester

반응식

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

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 14811003-(Chloromethyl)-5-(4-chlorophenyl)-1,2-oxazole

HCID 20770861Methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate

생성물 1

HCID 20770854{6-[5-(4-Chloro-phenyl)-isoxazol-3-ylmethoxy]-benzofuran-3-yl}-acetic acid methyl ester

출처 및 근거

ORD 기록: ord-73fc5e180e134ec38d4e47900e413228
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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