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Hydroxide → 2-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butanoic acid

HRID 209146
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반응식

HRID 209146 반응식
[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[Li+:3].[NH2:4][c:5]1[c:6]([Cl:41])[cH:7][c:8]([CH2:9][CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH2:15][C:16]([N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[C:24](=[O:33])[NH:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[CH2:32]3)[CH2:21][CH2:22]2)=[O:34])[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40].[OH-:2].[OH2:1].[OH2:42]>>[NH2:4][c:5]1[c:6]([Cl:41])[cH:7][c:8]([CH2:9][CH:10]([C:11](=[O:12])[OH:13])[CH2:15][C:16]([N:17]2[CH2:18][CH2:19][CH:20]([N:23]3[C:24](=[O:33])[NH:25][c:26]4[cH:27][cH:28][cH:29][cH:30][c:31]4[CH2:32]3)[CH2:21][CH2:22]2)=[O:34])[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68590118Methyl 2-[[4-amino-3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-oxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]butanoate

생성물 1

HCID 12094449
2-(4-amino-3-chloro-5-trifluoromethyl-benzyl)-4-oxo-4-[4-(2-oxo-1,4-dihydro-2H-quinazolin-3-yl)-piperidin-1-yl]-butanoic acid

출처 및 근거

ORD 기록
ord-0e4b240814b343979931e18eb166ff85
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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