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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetate → 3-{[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]methyl}-2,3-dihydro{1,4]dioxino[2,3-b]pyridine

HRID 213943
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HRID 213943 반응식
[Br:17][c:18]1[n:19][cH:20][cH:21][cH:22][c:23]1[O:24][CH2:25][CH:26]1[O:27][CH2:28]1.[C:29](=[O:30])([O-:31])[O-:32].[CH3:35][S:36]([CH3:37])=[O:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([C:11]3=[CH:16][CH2:15][NH:14][CH2:13][CH2:12]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1.[K+:33].[K+:34].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[Pd+2:46]>>[F:1][c:2]1[cH:3][c:4]2[c:5]([C:11]3=[CH:16][CH2:15][N:14]([CH2:28][CH:26]4[CH2:25][O:24][c:23]5[c:18]([n:19][cH:20][cH:21][cH:22]5)[O:27]4)[CH2:13][CH2:12]3)[cH:6][nH:7][c:8]2[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2회HCID 1140TolueneHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 113449595-fluoro-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
HCID 222566772-Bromo-3-[oxiranylmethoxy]pyridine

생성물 1

HCID 99290483-{[4-(5-Fluoro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]methyl}-2,3-dihydro{1,4]dioxino[2,3-b]pyridine

출처 및 근거

ORD 기록
ord-e408abd87fe141ff8fb7935d28edd992
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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