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Sodium Ion → tert-Butyl{1-[2-(7-fluoro-3-methyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamate

HRID 2331908
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HRID 2331908 반응식
[CH3:17][S:18]([O:19][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][CH:27]([NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:28][CH2:29]1)(=[O:20])=[O:21].[CH3:38][O:39][c:40]1[cH:41][c:42]2[c:43]([cH:44][cH:45][c:46](=[O:47])[n:48]2[CH2:49][CH2:50][N:51]2[CH2:52][CH2:53][CH:54]([NH:55][C:56](=[O:57])[O:58][C:59]([CH3:60])([CH3:61])[CH3:62])[CH2:63][CH2:64]2)[cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:14])[n:7]([CH3:13])[c:8](=[O:12])[nH:9][c:10]2[cH:11]1.[H-:15].[Na+:16]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6](=[O:14])[n:7]([CH3:13])[c:8](=[O:12])[n:9]([CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH:27]([NH:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:28][CH2:29]3)[c:10]2[cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 8857Ethyl AcetateHCID 166653HydrideHCID 568344782-(4-((Tert-butoxycarbonyl)amino)piperidin-1-yl)ethyl methanesulfonateHCID 59371209tert-butyl {1-[2-(7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamateHCID 667752467-Fluoro-3-methylquinazoline-2,4(1H,3H)-dione

생성물 1

HCID 86642639tert-Butyl{1-[2-(7-fluoro-3-methyl-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl)ethyl]piperidin-4-yl}carbamate

출처 및 근거

ORD 기록
ord-2bf9389de7ad486ab1979c26b8261dc2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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