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Ethanol → 4-(4-{[N-(2,6-dimethylphenyl)carbamoyl]methyl}piperazinyl)-3-hydroxy-N-(4-methoxyphenyl)butanamide

HRID 1234914
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인쇄 미리보기

반응식

HRID 1234914 반응식
[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH2:11][CH:12]2[O:13][CH2:14]2)=[O:15])[cH:7][cH:8]1.[CH3:23][c:24]1[c:25]([NH:31][C:32]([CH2:33][N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)=[O:40])[c:26]([CH3:30])[cH:27][cH:28][cH:29]1.[CH3:41][CH2:42][OH:43]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH:9][C:10]([CH2:11][CH:12]([OH:13])[CH2:14][N:37]2[CH2:36][CH2:35][N:34]([CH2:33][C:32]([NH:31][c:25]3[c:24]([CH3:23])[cH:29][cH:28][cH:27][c:26]3[CH3:30])=[O:40])[CH2:39][CH2:38]2)=[O:15])[cH:7][cH:8]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 702EthanolHCID 8471TriethylamineHCID 2608606Cvt-2738HCID 58844915N-(4-methoxyphenyl)-2-oxiran-2-ylacetamide

생성물 1

HCID 184526914-(4-{[N-(2,6-dimethylphenyl)carbamoyl]methyl}piperazinyl)-3-hydroxy-N-(4-methoxyphenyl)butanamide

출처 및 근거

ORD 기록
ord-0ab583f0257f45e1855efef1b0476645
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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