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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethyl Sulfoxide → Ethyl 1-[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylate

HRID 1238948
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인쇄 미리보기

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HRID 1238948 반응식
[Br:1][c:2]1[n:3][c:4]2[n:5]([CH3:23])[c:6](=[O:22])[n:7]([CH3:21])[c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[c:13]([Cl:19])[cH:14][cH:15][cH:16][c:17]1[F:18].[CH3:39][S:40]([CH3:41])=[O:42].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:36][CH2:37][Cl:38].[NH:24]1[CH2:25][CH:26]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:27][CH2:28][CH2:29]1.[OH2:35]>>[c:2]1([N:24]2[CH2:25][CH:26]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:27][CH2:28][CH2:29]2)[n:3][c:4]2[n:5]([CH3:23])[c:6](=[O:22])[n:7]([CH3:21])[c:8](=[O:20])[c:9]2[n:10]1[CH2:11][c:12]1[c:13]([Cl:19])[cH:14][cH:15][cH:16][c:17]1[F:18]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 679Dimethyl SulfoxideHCID 962WaterHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 98969Ethyl nipecotateHCID 6592358-bromo-7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

생성물 1

HCID 57565596
Ethyl 1-[7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidine-3-carboxylate

출처 및 근거

ORD 기록
ord-6827dc94d4794d11a95acf4aa2d65aed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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