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Water → 2-(3,5-dimethoxy-4-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole

HRID 2310385
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HRID 2310385 반응식
[Br:1][c:2]1[c:3]([O:17][CH3:18])[cH:4][c:5]([C:10]2=[N:14][C:13]([CH3:15])([CH3:16])[CH2:12][O:11]2)[cH:6][c:7]1[O:8][CH3:9].[CH2:27]([Li:28])[CH2:29][CH2:30][CH3:31].[CH3:19][N:20]([CH3:21])[CH2:22][CH2:23][N:24]([CH3:25])[CH3:26].[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[CH3:38][S:39][S:40][CH3:41].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH2:47]>>[c:2]1([S:39][CH3:38])[c:3]([O:17][CH3:18])[cH:4][c:5]([C:10]2=[N:14][C:13]([CH3:15])([CH3:16])[CH2:12][O:11]2)[cH:6][c:7]1[O:8][CH3:9]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 8037N,N,N',N'-TetramethylethylenediamineHCID 8058HexaneHCID 12232Dimethyl DisulfideHCID 226768512-(4-Bromo-3,5-dimethoxyphenyl)-4,4-dimethyl-2-oxazolineHCID 178418339Butyllithium

생성물 1

출처 및 근거

ORD 기록
ord-55a148fa59d44729ba01ea88773f82dd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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HCID 22676871
2-(3,5-dimethoxy-4-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole