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Tetrahydrofuran → [3-({[2-(3-Fluoro-phenyl)-pyrimidine-5-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester

HRID 311057
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HRID 311057 반응식
[C:17]([c:18]1[nH:19][cH:20][cH:21][n:22]1)([c:23]1[nH:24][cH:25][cH:26][n:27]1)=[O:28].[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([NH:35][CH2:36][c:37]1[cH:38][c:39]([CH2:43][NH2:44])[cH:40][cH:41][cH:42]1)=[O:45].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[OH:16])[cH:12][n:13]2)[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][cH:10][c:11]([C:14](=[O:16])[NH:44][CH2:43][c:39]3[cH:38][c:37]([CH2:36][NH:35][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:45])[cH:42][cH:41][cH:40]3)[cH:12][n:13]2)[cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 2756043tert-butyl N-((3-(aminomethyl)phenyl)methyl)carbamateHCID 5250894Bis-(1H-imidazol-2-YL)-methanoneHCID 450733632-(3-Fluorophenyl)pyrimidine-5-carboxylic acid

생성물 1

HCID 69122649
[3-({[2-(3-Fluoro-phenyl)-pyrimidine-5-carbonyl]-amino}-methyl)-benzyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-02e51b850e2643baada3603850833f7d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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