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Bromide ion → (+/-) Ethyl 2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoate

HRID 136681
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HRID 136681 반응식
[Br-:18].[CH2:20]([CH3:21])[O:22][CH:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[CH2:29][c:30]1[cH:31][cH:32][c:33]([O:36][CH2:37][CH2:38][Br:39])[cH:34][cH:35]1.[CH2:3]([CH3:4])[c:5]1[nH:6][c:7](=[O:17])[cH:8][c:9](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:10]1.[H-:2].[Li+:19].[Na+:1].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[CH2:3]([CH3:4])[c:5]1[n:6]([CH2:38][CH2:37][O:36][c:33]2[cH:32][cH:31][c:30]([CH2:29][CH:23]([O:22][CH2:20][CH3:21])[C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:35][cH:34]2)[c:7](=[O:17])[cH:8][c:9](-[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:10]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 259Bromide ionHCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 28486Lithium ionHCID 166653HydrideHCID 11002461Ethyl 2-ethoxy-3-[4-(2-bromoethoxy)-phenyl]propanoate
HCID 135473407
2-Ethyl-6-phenyl-4(3H)-pyrimidinone

생성물 1

HCID 22137696(+/-) Ethyl 2-ethoxy-3-[4-[2-[2-ethyl-6-oxo-4-phenyl-1,6-dihydropyrimidin-1-yl]ethoxy]phenyl]propanoate

출처 및 근거

ORD 기록
ord-5aa4e71809bc40618b3398a324985fc8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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