1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol → 4-[[3,6-Diethyl-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]amino]oxolan-3-ol

HRID 301959

반응식

HRID 301959 반응식
[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[n:10][c:11]([CH2:12][CH3:13])[c:14]([NH:15][CH:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[CH2:23][CH:24]2[OH:25])[n:26][c:27]1[CH2:28][CH3:29].[N+:30]([c:31]1[cH:32][cH:33][c:34]([C:35](=[O:36])[O:39][CH:40]2[CH2:41][O:42][CH2:43][CH:44]2[NH:45][c:46]2[n:47][c:48]([CH2:63][CH3:64])[c:49](-[c:54]3[c:55]([CH3:62])[cH:56][c:57]([O:60][CH3:61])[cH:58][cH:59]3)[n:50][c:51]2[CH2:52][CH3:53])[cH:37][cH:38]1)([O-:65])=[O:66]>>[OH:39][CH:40]1[CH2:41][O:42][CH2:43][CH:44]1[NH:45][c:46]1[n:47][c:48]([CH2:63][CH3:64])[c:49](-[c:54]2[c:55]([CH3:62])[cH:56][c:57]([O:60][CH3:61])[cH:58][cH:59]2)[n:50][c:51]1[CH2:52][CH3:53]

참가 물질

3

반응물 2

HCID 221472271-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-olHCID 23593702[4-[[3,6-Diethyl-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]amino]oxolan-3-yl] 4-nitrobenzoate

생성물 1

HCID 235937014-[[3,6-Diethyl-5-(4-methoxy-2-methylphenyl)pyrazin-2-yl]amino]oxolan-3-ol

출처 및 근거

ORD 기록
ord-c646651b6dc84da69c7e5476ca3d7087
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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