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N,N-Dimethylaniline → 2-Methyl-4-(4-methylpiperazin-1-yl)-7-nitrothieno[2,3-b][1,5]benzoxazepine

HRID 1139717
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HRID 1139717 반응식
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([s:19]1)[O:6][c:7]1[c:8]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1)[NH:9][C:10]2=[O:11].[CH3:25][N:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH3:33].[CH3:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[P:20]([Cl:21])([Cl:22])([Cl:23])=[O:24]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([s:19]1)[O:6][c:7]1[c:8]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1)[N:9]=[C:10]2[N:38]1[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]1
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반응물 4

HCID 949N,N-DimethylanilineHCID 24813Phosphorus oxychlorideHCID 531671-MethylpiperazineHCID 184221442-methyl-7-nitrothieno[2,3-b][1,5]benzoxazepin-4(5H)-one

생성물 1

HCID 184221922-Methyl-4-(4-methylpiperazin-1-yl)-7-nitrothieno[2,3-b][1,5]benzoxazepine

출처 및 근거

ORD 기록
ord-8dcdee8e53df4db6a08dbdd08e975cea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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