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Ethyl Acetate → 6-Methoxy-4-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-1,4-benzoxazin-3-one

HRID 170160
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인쇄 미리보기

반응식

HRID 170160 반응식
[CH2:19]([CH2:20][CH2:21][CH2:22][CH3:23])[CH:24]1[CH2:25][CH:26]2[CH2:27][CH2:28][CH:29]([CH2:30]1)[NH:31]2.[CH3:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[I:1][CH2:2][CH:3]([CH2:4][N:5]1[C:6](=[O:17])[CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[CH3:18]>>[CH2:2]([CH:3]([CH2:4][N:5]1[C:6](=[O:17])[CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[CH3:18])[N:31]1[CH:26]2[CH2:25][CH:24]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[CH2:30][CH:29]1[CH2:28][CH2:27]2
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 219898523-Pentyl-8-azabicyclo[3.2.1]octaneHCID 689120424-(3-Iodo-2-methylpropyl)-6-methoxy-1,4-benzoxazin-3-one

생성물 1

HCID 689108506-Methoxy-4-[2-methyl-3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-1,4-benzoxazin-3-one

출처 및 근거

ORD 기록
ord-0713dec2a8e449c1b10c1a16a28724ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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