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Chloride → 1-Methyl-4-[2-(methylsulfanyl)ethoxy]-3,5-diphenyl-1H-pyrazole

HRID 1571619
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인쇄 미리보기

반응식

HRID 1571619 반응식
[Br:5][CH2:6][CH2:7][O:8][c:9]1[c:10](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[n:11][n:12]([CH3:20])[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH2:34]([N+:35]([CH2:36][CH3:37])([CH2:38][CH3:39])[CH2:40][CH3:41])[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:3][SH:4].[Cl-:33].[Na+:2].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH-:1].[OH2:32]>>[CH3:3][S:4][CH2:6][CH2:7][O:8][c:9]1[c:10](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[n:11][n:12]([CH3:20])[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 312ChlorideHCID 878MethanethiolHCID 923Sodium IonHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 17208BenzyltriethylammoniumHCID 213980544-(2-Bromoethoxy)-1-methyl-3,5-diphenylpyrazole

출처 및 근거

ORD 기록
ord-3f03b5cf35cd4267a16a0d111942e4da
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 213981001-Methyl-4-[2-(methylsulfanyl)ethoxy]-3,5-diphenyl-1H-pyrazole