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Dimethylformamide → ethyl {[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]sulfanyl}acetate

HRID 675279
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HRID 675279 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH:30]4[CH2:31][CH2:32]4)[cH:25][cH:26]3)[cH:11][cH:12]2)[n:6][cH:7]1.[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[SH:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39]>>[c:2]1([S:33][CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:3][cH:4][c:5](-[c:8]2[nH:9][c:10]([CH:13]([CH2:14][CH:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[c:21]3[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[CH:30]4[CH2:31][CH2:32]4)[cH:25][cH:26]3)[cH:11][cH:12]2)[n:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 4

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 12185Ethyl ThioglycolateHCID 593312485-bromo-2-(5-[1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl]-1H-pyrrol-2-yl)pyridine

생성물 1

HCID 59331460ethyl {[6-(5-{1-[4-(cyclopropylsulfonyl)phenyl]-2-(tetrahydro-2H-pyran-4-yl)ethyl}-1H-pyrrol-2-yl)pyridin-3-yl]sulfanyl}acetate

출처 및 근거

ORD 기록
ord-bf8ac8e38d334aef8552ce39d6999531
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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