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Dimethyl Sulfoxide → 2-Acetyl-N-(1-{3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-5-phenylpentanamide

HRID 314989
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HRID 314989 반응식
[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[CH3:7][S:8](=[O:9])[CH3:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[OH:11][CH:12]([CH3:13])[CH:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]1[c:21](=[O:37])[nH:22][c:23]([CH2:26][c:27]2[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]2)[n:24][n:25]1)[CH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[O:11]=[C:12]([CH3:13])[CH:14]([C:15](=[O:16])[NH:17][CH:18]([CH3:19])[c:20]1[c:21](=[O:37])[nH:22][c:23]([CH2:26][c:27]2[cH:28][c:29]([O:35][CH3:36])[c:30]([O:33][CH3:34])[cH:31][cH:32]2)[n:24][n:25]1)[CH2:38][CH2:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1
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참가 물질

5

반응물 4

HCID 679Dimethyl SulfoxideHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 136017765N-(1-{3-[(3,4-Dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-2-(1-hydroxyethyl)-5-phenylpentanamide

생성물 1

HCID 1360177662-Acetyl-N-(1-{3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-5-phenylpentanamide

출처 및 근거

ORD 기록
ord-955b447a714c4191908fa175bdcdd667
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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