2-Pyridineethanethiol → 6-[2-(3-Chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-4-hydroxy-3-(2-pyridin-2-yl-ethylsulfanyl)-5,6-dihydro-pyran-2-one

HRID 670330

반응식

HRID 670330 반응식
[Cl:1][CH:2]1[C:3](=[O:25])[O:4][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[CH2:6][C:7]1=[O:8].[n:26]1[c:27]([CH2:32][CH2:33][SH:34])[cH:28][cH:29][cH:30][cH:31]1>>[C:2]1([S:34][CH2:33][CH2:32][c:27]2[n:26][cH:31][cH:30][cH:29][cH:28]2)=[C:7]([OH:8])[CH2:6][C:5]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)([CH2:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[O:4][C:3]1=[O:25]

참가 물질

3

반응물 2

HCID 1509632-PyridineethanethiolHCID 688674513-Chloro-6-[2-(3-chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dione

생성물 1

HCID 587626866-[2-(3-Chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-4-hydroxy-3-(2-pyridin-2-yl-ethylsulfanyl)-5,6-dihydro-pyran-2-one

출처 및 근거

ORD 기록
ord-755bac4e37c84f35880d241b37a64192
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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