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Methyl Ethyl Ketone → ethyl N-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-oxazolyl]isonipecotate

HRID 1211767
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반응식

HRID 1211767 반응식
[CH3:37][C:38](=[O:39])[CH2:40][CH3:41].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[o:3][c:4]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1.[NH:26]1[CH2:27][CH2:28][CH:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:35][CH2:36]1>>[c:2]1([N:26]2[CH2:27][CH2:28][CH:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH2:35][CH2:36]2)[o:3][c:4]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]2)[n:6]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6569Methyl Ethyl KetoneHCID 8857Ethyl AcetateHCID 70770Ethyl 4-piperidinecarboxylateHCID 109598002-Chloro-4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]oxazole

생성물 1

HCID 18174717ethyl N-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-oxazolyl]isonipecotate

출처 및 근거

ORD 기록
ord-2de910e03d694366a18ff3d2a01c863b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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