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Tetrahydrofuran → 1-Acetyl-6-(2-acetamido-5-bromobenzoyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

HRID 167514
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인쇄 미리보기

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HRID 167514 반응식
[C:25]([CH3:26])(=[O:27])[N:28]1[C:29]([CH3:46])([CH3:47])[CH2:30][C:31]([CH3:39])([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:32]2[cH:33][c:34]([NH2:38])[cH:35][cH:36][c:37]21.[C:48]([CH3:49])(=[O:50])[NH:51][c:52]1[c:53]([C:54](=[O:55])[OH:56])[cH:57][c:58]([Br:61])[cH:59][cH:60]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[C:25]([CH3:26])(=[O:27])[N:28]1[C:29]([CH3:46])([CH3:47])[CH2:30][C:31]([CH3:39])([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:32]2[cH:33][c:34]([NH:38][C:54]([c:53]3[c:52]([NH:51][C:48]([CH3:49])=[O:50])[cH:60][cH:59][c:58]([Br:61])[cH:57]3)=[O:55])[cH:35][cH:36][c:37]21
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5209352-Acetamido-5-bromobenzoic AcidHCID 28370841-(6-amino-2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanoneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

생성물

1
HCID 179629151-Acetyl-6-(2-acetamido-5-bromobenzoyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

출처 및 근거

ORD 기록
ord-759ebd2a870f4d409d3478cd90da5510
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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