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Isopropanol → (4-(2-Amino-5-chloro-3-nitropyridin-4-yl)piperazin-1-yl)(4-methoxyphenyl)methanone

HRID 147799
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HRID 147799 반응식
[CH3:39][O:40][c:41]1[cH:42][cH:43][c:44]([C:47](=[O:48])[N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[cH:45][cH:46]1.[CH:55]([OH:56])([CH3:57])[CH3:58].[NH2:1][c:2]1[c:3]([N+:4]([O-:5])=[O:6])[c:7]([N:8]2[CH2:9][CH2:10][N:11]([CH2:12][C:13]([NH:14][c:15]3[s:16][cH:17][cH:18][n:19]3)=[O:20])[CH2:21][CH2:22]2)[c:23]([Cl:24])[cH:25][n:26]1.[NH2:27][c:28]1[n:29][cH:30][c:31]([Cl:38])[c:32]([Cl:37])[c:33]1[N+:34](=[O:35])[O-:36]>>[NH2:27][c:28]1[n:29][cH:30][c:31]([Cl:38])[c:32]([N:52]2[CH2:51][CH2:50][N:49]([C:47]([c:44]3[cH:43][cH:42][c:41]([O:40][CH3:39])[cH:46][cH:45]3)=[O:48])[CH2:54][CH2:53]2)[c:33]1[N+:34](=[O:35])[O-:36]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 27367241-(4-Methoxybenzoyl)-piperazineHCID 468676602-Amino-4,5-dichloro-3-nitropyridineHCID 468678042-(4-(2-amino-5-chloro-3-nitropyridin-4-yl)piperazin-1-yl)-N-(thiazol-2-yl)acetamide

생성물 1

HCID 57897177(4-(2-Amino-5-chloro-3-nitropyridin-4-yl)piperazin-1-yl)(4-methoxyphenyl)methanone

출처 및 근거

ORD 기록
ord-8ccffa05c67b40968dd284da0e96e562
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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