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Dimethylformamide → 2-[2-(3-chloro-4-isopropoxy-phenyl)ethyl]-2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-4-hydroxy-3H-pyran-6-one

HRID 299135
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HRID 299135 반응식
[CH3:28][c:29]1[n:30][c:31]2[n:32]([c:33]([CH3:35])[cH:34]1)[n:36][c:37]([SH:39])[n:38]2.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl:1][C:2]1=[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:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]2)[O:4][C:3]1=[O:27].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[C:2]1([S:39][c:37]2[n:36][n:32]3[c:31]([n:30][c:29]([CH3:28])[cH:34][c:33]3[CH3:35])[n:38]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:26])[c:19]([O:22][CH:23]([CH3:24])[CH3:25])[cH:20][cH:21]2)[O:4][C:3]1=[O:27]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 547203163-Chloro-6-[2-(3-chloro-4-isopropoxy-phenyl)-ethyl]-6-cyclopentyl-4-hydroxy-5,6-dihydro-pyran-2-oneHCID 178426287HCID 178426287, 화합물

생성물 1

HCID 546895842-[2-(3-chloro-4-isopropoxy-phenyl)ethyl]-2-cyclopentyl-5-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-4-hydroxy-3H-pyran-6-one

출처 및 근거

ORD 기록
ord-a50ac1a129574c059e55304d11abafb8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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