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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Isopropanol → 1-{3-[2-(7-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]-3-methylbutyl}-4,4-diethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

HRID 2348196
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HRID 2348196 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:20]2[O:21][CH2:22]2)[c:12]2[cH:13][cH:14][c:15](=[O:19])[nH:16][c:17]2[cH:18]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[CH:44]([OH:45])([CH3:46])[CH3:47].[NH2:23][C:24]([CH2:25][CH2:26][N:27]1[C:28](=[O:41])[O:29][C:30]([CH2:37][CH3:38])([CH2:39][CH3:40])[c:31]2[c:32]1[cH:33][cH:34][cH:35][cH:36]2)([CH3:42])[CH3:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:20]([OH:21])[CH2:22][NH:23][C:24]([CH2:25][CH2:26][N:27]2[C:28](=[O:41])[O:29][C:30]([CH2:37][CH3:38])([CH2:39][CH3:40])[c:31]3[c:32]2[cH:33][cH:34][cH:35][cH:36]3)([CH3:42])[CH3:43])[c:12]2[cH:13][cH:14][c:15](=[O:19])[nH:16][c:17]2[cH:18]1
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참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 210728171-(3-Amino-3-methylbutyl)-4,4-diethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-oneHCID 574693717-benzyloxy-5-oxiranyl-1H-quinolin-2-one

생성물 1

HCID 210728131-{3-[2-(7-Benzyloxy-2-oxo-1,2-dihydroquinolin-5-yl)-2-hydroxyethylamino]-3-methylbutyl}-4,4-diethyl-1,4-dihydrobenzo[d][1,3]oxazin-2-one

출처 및 근거

ORD 기록
ord-d013876ceaf547609f3315ee55cb90c5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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