5-(Chloromethyl)-3-ethyl-1,2,4-oxadiazole → 6-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

HRID 164677

반응식

HRID 164677 반응식
[Cl:10][c:11]1[c:12]([O:34][CH3:35])[cH:13][c:14]([O:32][CH3:33])[c:15]([CH2:17][CH2:18][C:19]2([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[CH2:20][C:21](=[O:26])[CH2:22][C:23](=[O:25])[O:24]2)[cH:16]1.[Cl:1][CH2:2][c:3]1[n:4][c:5]([CH2:8][CH3:9])[n:6][o:7]1>>[CH2:2]([c:3]1[n:4][c:5]([CH2:8][CH3:9])[n:6][o:7]1)[C:22]1=[C:21]([OH:26])[CH2:20][C:19]([CH2:18][CH2:17][c:15]2[c:14]([O:32][CH3:33])[cH:13][c:12]([O:34][CH3:35])[c:11]([Cl:10])[cH:16]2)([CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[O:24][C:23]1=[O:25]

참가 물질

3

반응물 2

HCID 162279165-(Chloromethyl)-3-ethyl-1,2,4-oxadiazoleHCID 167287016-[2-(5-Chloro-2,4-dimethoxy-phenyl)ethyl]-6-cyclopentyl-tetrahydropyran-2,4-dione

생성물 1

HCID 587626246-[2-(5-Chloro-2,4-dimethoxyphenyl)ethyl]-6-cyclopentyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one

출처 및 근거

ORD 기록
ord-3a8b436a856d423d89234e099e4d696c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…