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Methanol → 4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexyl}-2-trifluoromethoxy-benzenesulfonamide

HRID 1567462
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HRID 1567462 반응식
[Br:42][c:43]1[cH:44][c:45]([O:53][C:54]([F:55])([F:56])[F:57])[c:46]([S:49](=[O:50])(=[O:51])[Cl:52])[cH:47][cH:48]1.[CH2:1]([O:2][C:3](=[O:4])[NH:10][CH:11]1[CH2:12][CH2:13][CH:14]([CH2:17][NH:18][c:19]2[n:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[c:27]([N:29]([CH3:30])[CH3:31])[n:28]2)[CH2:15][CH2:16]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:32]1.[CH3:58][OH:59].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[Cl:60][CH2:61][Cl:62]>>[NH:10]([CH:11]1[CH2:12][CH2:13][CH:14]([CH2:17][NH:18][c:19]2[n:20][c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]3[c:27]([N:29]([CH3:30])[CH3:31])[n:28]2)[CH2:15][CH2:16]1)[S:49]([c:46]1[c:45]([O:53][C:54]([F:55])([F:56])[F:57])[cH:44][c:43]([Br:42])[cH:48][cH:47]1)(=[O:50])=[O:51]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 887MethanolHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 27364214-Bromo-2-(Trifluoromethoxy)Benzene-1-Sulfonyl ChlorideHCID 68846868trans-{4-[(4-Dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexyl}-carbamic acid benzyl ester

생성물 1

HCID 44401616
4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexyl}-2-trifluoromethoxy-benzenesulfonamide

출처 및 근거

ORD 기록
ord-f407cf06720e42409a39476073d7fcdf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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