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Methanol → 3-methoxy-4-[[6-methyl-5-oxo-2-(2-oxocyclopentyl)-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl]amino]-N-(1-methyl-4-piperidyl)benzamide

HRID 2327194
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HRID 2327194 반응식
[CH3:53][CH:54]([CH3:55])[CH2:56][CH:57]([OH:58])[CH3:59].[CH3:60][OH:61].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]1)[CH2:9][CH2:8][C:7](=[O:19])[N:6]2[CH3:20].[NH2:21][c:22]1[c:23]([O:38][CH3:39])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]2[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]2)[cH:36][cH:37]1.[OH2:40].[OH2:52].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[c:2]1([NH:21][c:22]2[c:23]([O:38][CH3:39])[cH:24][c:25]([C:26](=[O:27])[NH:28][CH:29]3[CH2:30][CH2:31][N:32]([CH3:35])[CH2:33][CH2:34]3)[cH:36][cH:37]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH:13]1[C:14](=[O:18])[CH2:15][CH2:16][CH2:17]1)[CH2:9][CH2:8][C:7](=[O:19])[N:6]2[CH3:20]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887MethanolHCID 962Water2회HCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 115290634-Amino-3-methoxy-n-(1-methylpiperidin-4-yl)benzamideHCID 8661756510-Chloro-6-methyl-2-(2-oxocyclopentyl)-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

생성물 1

HCID 68684008
3-methoxy-4-[[6-methyl-5-oxo-2-(2-oxocyclopentyl)-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl]amino]-N-(1-methyl-4-piperidyl)benzamide

출처 및 근거

ORD 기록
ord-0ff473b4efc94debafe16e99ab5bb099
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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