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Water → diethyl 2-(3,4-dimethyl-benzyl)-2-{2-oxo-2-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-ethyl}-malonate

HRID 686787
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인쇄 미리보기

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HRID 686787 반응식
[B-:25]([F:26])([F:27])([F:28])[F:29].[CH2:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH:52]([CH3:53])[CH3:54])[CH3:55].[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:1][c:2]1[cH:3][c:4]([CH2:9][C:10]([CH2:11][C:12](=[O:13])[OH:14])([C:15](=[O:16])[O:17][CH2:18][CH3:19])[C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:5][cH:6][c:7]1[CH3:8].[NH:56]1[CH2:57][CH2:58][CH:59]([N:62]2[C:63](=[O:72])[NH:64][c:65]3[cH:66][cH:67][cH:68][cH:69][c:70]3[CH2:71]2)[CH2:60][CH2:61]1.[OH2:73].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:9][C:10]([CH2:11][C:12](=[O:13])[N:56]2[CH2:57][CH2:58][CH:59]([N:62]3[C:63](=[O:72])[NH:64][c:65]4[cH:66][cH:67][cH:68][cH:69][c:70]4[CH2:71]3)[CH2:60][CH2:61]2)([C:15](=[O:16])[O:17][CH2:18][CH3:19])[C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:5][cH:6][c:7]1[CH3:8]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 110425973-(Piperidin-4-yl)-3,4-dihydroquinazolin-2(1H)-oneHCID 685789934-(3,4-Dimethyl-phenyl)-3,3-bis-ethoxycarbonyl-butanoic acid

생성물 1

HCID 68579159diethyl 2-(3,4-dimethyl-benzyl)-2-{2-oxo-2-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-ethyl}-malonate

출처 및 근거

ORD 기록
ord-b050b7ef16a94c279b7fe779b9a92f7c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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