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

HRID 954348
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반응식

HRID 954348 반응식
[CH3:49][CH:50]([CH3:51])[CH2:52][CH:53]([OH:54])[CH3:55].[CH3:57][OH:58].[Cl:1][c:2]1[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH2:14][F:15])[CH2:9][CH2:8][C:7](=[O:16])[N:6]2[CH3:17].[NH2:18][c:19]1[c:20]([O:35][CH3:36])[cH:21][c:22]([C:23](=[O:24])[NH:25][CH:26]2[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]2)[cH:33][cH:34]1.[OH2:37].[OH2:56].[c:38]1([CH3:39])[cH:40][cH:41][c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48]1>>[c:2]1([NH:18][c:19]2[c:20]([O:35][CH3:36])[cH:21][c:22]([C:23](=[O:24])[NH:25][CH:26]3[CH2:27][CH2:28][N:29]([CH3:32])[CH2:30][CH2:31]3)[cH:33][cH:34]2)[n:3][cH:4][c:5]2[c:11]([n:12]1)[N:10]([CH2:13][CH2:14][F:15])[CH2:9][CH2:8][C:7](=[O:16])[N:6]2[CH3:17]
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 8661755310-Chloro-2-(2-fluoroethyl)-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

생성물 1

HCID 86617552
4-[[2-(2-fluoroethyl)-6-methyl-5-oxo-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-10-yl]amino]-3-methoxy-N-(1-methyl-4-piperidyl)benzamide

출처 및 근거

ORD 기록
ord-e48835bdbd8b410e9b6c8d04d3903f57
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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