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Dichloromethane → 1-Acetyl-6-(3-bromo-2,6-dimethoxybenzoyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

HRID 164094
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HRID 164094 반응식
[Br:24][c:25]1[c:26]([O:36][CH3:37])[c:27]([C:28](=[O:29])[OH:30])[c:31]([O:34][CH3:35])[cH:32][cH:33]1.[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]21.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[Cl:71][CH2:72][Cl:73].[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][C:47]([N:48]([CH3:49])[CH3:50])=[N+:51]([CH3:52])[CH3:53])[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH:14][C:28]([c:27]3[c:26]([O:36][CH3:37])[c:25]([Br:24])[cH:33][cH:32][c:31]3[O:34][CH3:35])=[O:29])[cH:11][cH:12][c:13]21
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7

반응물 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27747443-Bromo-2,6-dimethoxybenzoic 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 179628961-Acetyl-6-(3-bromo-2,6-dimethoxybenzoyl)amino-4-phenyl-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline

출처 및 근거

ORD 기록
ord-06b0edee5afe439688519dc39ef52069
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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