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3-Chloro-6-(2-cyclohex-1-enyl-ethyl)6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-one → 3-(5-Chloro-1-isopropyl-1H-benzoimidazol-2-ylsulfanyl)-6-cyclopentyl-6-(2-cyclopentyl-ethyl)-4-hydroxy-5,6-dihydro-pyran-2-one

HRID 119078
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HRID 119078 반응식
[Cl:1][C:2]1=[C:7]([OH:8])[CH2:6][C:5]([CH2:9][CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15]2)([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[O:4][C:3]1=[O:21].[Cl:22][C:23]1=[C:42]([OH:43])[CH2:41][C:27]([CH2:28][CH2:29][C:30]2=[CH:35][CH2:34][CH2:33][CH2:32][CH2:31]2)([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[O:26][C:24]1=[O:25].[Cl:44][c:45]1[cH:46][c:47]2[c:48]([n:49]([CH:53]([CH3:54])[CH3:55])[c:50]([SH:52])[n:51]2)[cH:56][cH:57]1.[n:58]1[cH:59][cH:60][c:61](-[c:62]2[nH:63][c:64]([SH:65])[n:66][n:67]2)[cH:68][cH:69]1>>[C:2]1([S:52][c:50]2[n:49]([CH:53]([CH3:54])[CH3:55])[c:48]3[c:47]([cH:46][c:45]([Cl:44])[cH:57][cH:56]3)[n:51]2)=[C:7]([OH:8])[CH2:6][C:5]([CH2:9][CH2:10][CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15]2)([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20]2)[O:4][C:3]1=[O:21]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 575272693-Chloro-6-(2-cyclohex-1-enyl-ethyl)6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-oneHCID 688672163-Chloro-6-cyclopentyl-6-(2-cyclopentyl-ethyl)-4-hydroxy-5,6-dihydro-pyran-2-oneHCID 178456613HCID 178456613, 화합물HCID 1785279605-pyridin-4-yl-1H-1,2,4-triazole-3-thiol

생성물 1

HCID 58762209
3-(5-Chloro-1-isopropyl-1H-benzoimidazol-2-ylsulfanyl)-6-cyclopentyl-6-(2-cyclopentyl-ethyl)-4-hydroxy-5,6-dihydro-pyran-2-one

출처 및 근거

ORD 기록
ord-9e41a329ef8943feb4eee915f4e244fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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