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Acetic Acid → 3-{2-Amino-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(ethoxycarbonyl)methoxypyridine

HRID 1201003
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인쇄 미리보기

반응식

HRID 1201003 반응식
[CH3:39][C:40](=[O:41])[OH:42].[F:2][c:3]1[cH:4][c:5]([N+:36]([O-:37])=[O:38])[c:6]([O:7][c:8]2[c:9]([O:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:10][cH:11][cH:12][cH:13]2)[cH:21][c:22]1-[n:23]1[c:24](=[O:35])[n:25]([CH3:34])[c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][c:28]1=[O:29].[Fe:43].[OH2:1]>>[F:2][c:3]1[cH:4][c:5]([NH2:36])[c:6]([O:7][c:8]2[c:9]([O:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[n:10][cH:11][cH:12][cH:13]2)[cH:21][c:22]1-[n:23]1[c:24](=[O:35])[n:25]([CH3:34])[c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][c:28]1=[O:29]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 176Acetic AcidHCID 962WaterHCID 23925IronHCID 186191833-{4-Fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]-2-nitrophenoxy}-2-(ethoxycarbonyl)methoxypyridine

생성물 1

HCID 186191543-{2-Amino-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy}-2-(ethoxycarbonyl)methoxypyridine

출처 및 근거

ORD 기록
ord-a77e70c1d7c6408c8a41695650a1a999
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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