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Methanol → 3-Methoxy-4-[[2-methyl-6-[(2-methyl1,3-thiazol-4-yl)methyl]-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl]amino]-n-(1-methyl-4-piperidyl)benzamide

HRID 134616
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인쇄 미리보기

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HRID 134616 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]([CH2:13][c:14]1[n:15][c:16]([CH3:19])[s:17][cH:18]1)[CH2:9][CH2:8][C:7](=[O:20])[N:6]2[CH3:21].[NH2:22][c:23]1[c:24]([O:39][CH3:40])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]2[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]2)[cH:37][cH:38]1.[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:22][c:23]2[c:24]([O:39][CH3:40])[cH:25][c:26]([C:27](=[O:28])[NH:29][CH:30]3[CH2:31][CH2:32][N:33]([CH3:36])[CH2:34][CH2:35]3)[cH:37][cH:38]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][c:14]1[n:15][c:16]([CH3:19])[s:17][cH:18]1)[CH2:9][CH2:8][C:7](=[O:20])[N:6]2[CH3:21]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 79104-Methyl-2-PentanolHCID 115290634-Amino-3-methoxy-n-(1-methylpiperidin-4-yl)benzamideHCID 8661757710-Chloro-6-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

생성물 1

HCID 68684220
3-Methoxy-4-[[2-methyl-6-[(2-methyl1,3-thiazol-4-yl)methyl]-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl]amino]-n-(1-methyl-4-piperidyl)benzamide

출처 및 근거

ORD 기록
ord-f85d8a5a02304a45982b89c3b15fe3a3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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