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Methanol → 3-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(4-methoxy-phenylsulfanyl)-N-(3-trifluoromethyl-phenyl)-benzamide

HRID 154677
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HRID 154677 반응식
[CH3:53][OH:54].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[Cl:19])[cH:20][cH:21][c:22]2[S:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[n:32]1.[F:33][C:34]([c:35]1[cH:36][c:37]([NH2:38])[cH:39][cH:40][cH:41]1)([F:42])[F:43].[NH2:44][c:45]1[cH:46][c:47]([OH:48])[c:49]([CH3:50])[cH:51][cH:52]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([n:9][cH:10][n:11][c:12]2[NH:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[NH:38][c:37]3[cH:36][c:35]([C:34]([F:33])([F:42])[F:43])[cH:41][cH:40][cH:39]3)[cH:20][cH:21][c:22]2[S:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[n:32]1
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반응물 4

HCID 887MethanolHCID 73753-(Trifluoromethyl)anilineHCID 178185-Amino-2-methylphenolHCID 866155503-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(4-methoxy-phenylsulfanyl)-benzoyl chloride

생성물 1

HCID 247576143-(7-Isopropyl-pyrido[2,3-d]pyrimidin-4-ylamino)-4-(4-methoxy-phenylsulfanyl)-N-(3-trifluoromethyl-phenyl)-benzamide

출처 및 근거

ORD 기록
ord-937097790abd4249a80352d20beccfdf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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