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Methanol → 1-[6-(5-{2-cyclopentyl-1-[5-(methylsulfonyl)pyridin-2-yl]ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]ethane-1,2-diol

HRID 110266
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반응식

HRID 110266 반응식
[CH3:37][OH:38].[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH:1]1([CH2:6][CH:7]([c:8]2[n:9][cH:10][c:11]([S:14][CH3:15])[cH:12][cH:13]2)[c:16]2[cH:17][cH:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([CH:27]([CH2:28][OH:29])[OH:30])[cH:25][n:26]3)[nH:20]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[O:31]1[CH2:32][CH2:33][CH2:34][CH2:35]1.[OH2:36]>>[CH:1]1([CH2:6][CH:7]([c:8]2[n:9][cH:10][c:11]([S:14]([CH3:15])(=[O:36])=[O:38])[cH:12][cH:13]2)[c:16]2[cH:17][cH:18][c:19](-[c:21]3[cH:22][cH:23][c:24]([CH:27]([CH2:28][OH:29])[OH:30])[cH:25][n:26]3)[nH:20]2)[CH2:2][CH2:3][CH2:4][CH2:5]1
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참가 물질

6

반응물 5

HCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 593313131-[6-(5-{2-cyclopentyl-1-[5-(methylsulfanyl)pyridin-2-yl]ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]ethane-1,2-diol

생성물 1

HCID 593313041-[6-(5-{2-cyclopentyl-1-[5-(methylsulfonyl)pyridin-2-yl]ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]ethane-1,2-diol

출처 및 근거

ORD 기록
ord-13905da9dc3840df88241e847a734023
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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