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Isopropanol → 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-(4-fluorophenoxy)phenyl)-4-methylpiperidine-4-carboxamide

HRID 316750
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HRID 316750 반응식
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:25][c:26]1[c:27]2[c:28]([n:29][cH:30][n:31]1)[nH:32][cH:33][c:34]2[Cl:35].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[C:16]3([CH3:22])[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[cH:10][cH:11][cH:12]2)[cH:23][cH:24]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14](=[O:15])[C:16]3([CH3:22])[CH2:17][CH2:18][N:19]([c:26]4[c:27]5[c:28]([n:29][cH:30][n:31]4)[nH:32][cH:33][c:34]5[Cl:35])[CH2:20][CH2:21]3)[cH:10][cH:11][cH:12]2)[cH:23][cH:24]1
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반응물 4

HCID 3776IsopropanolHCID 8471TriethylamineHCID 111060924,5-dichloro-7H-pyrrolo[2,3-d]pyrimidineHCID 67036908N-(3-(4-fluorophenoxy)phenyl)-4-methylpiperidine-4-carboxamide

생성물 1

HCID 444823901-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3-(4-fluorophenoxy)phenyl)-4-methylpiperidine-4-carboxamide

출처 및 근거

ORD 기록
ord-7d54d5f579c946bf989936cbb9ce3cb7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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