6-Chloro-2-dimethylamino-3-nitropyridine → {6-[(2-{[4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl]amino}ethyl)amino]-3-nitro(2-pyridyl)}dimethylamine

HRID 1117030

반응식

HRID 1117030 반응식
[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[c:10](-[n:11]2[cH:12][cH:13][n:14][cH:15]2)[cH:16][n:17][c:18]([CH2:19][CH2:20][NH2:21])[n:22]1.[Cl:23][c:24]1[cH:25][cH:26][c:27]([N+:33](=[O:34])[O-:35])[c:28]([N:30]([CH3:31])[CH3:32])[n:29]1.[Cl:36][c:37]1[c:38](-[c:44]2[n:45][c:46]([NH:55][CH2:56][CH2:57][NH:58][c:59]3[cH:60][cH:61][c:62]([N+:63]([O-:64])=[O:65])[c:66]([O:67][CH3:68])[n:69]3)[n:47][cH:48][c:49]2-[c:50]2[nH:51][cH:52][cH:53][n:54]2)[cH:39][cH:40][c:41]([Cl:43])[cH:42]1>>[c:24]1([NH:58][CH2:57][CH2:56][NH:55][c:46]2[n:45][c:44](-[c:38]3[c:37]([Cl:36])[cH:42][c:41]([Cl:43])[cH:40][cH:39]3)[c:49](-[c:50]3[n:51][cH:52][cH:53][nH:54]3)[cH:48][n:47]2)[cH:25][cH:26][c:27]([N+:33](=[O:34])[O-:35])[c:28]([N:30]([CH3:31])[CH3:32])[n:29]1

참가 물질

4

반응물 3

HCID 217876256-Chloro-2-dimethylamino-3-nitropyridineHCID 22142635[4-(2,4-Dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]ethyl}amineHCID 571748954-(2,4-Dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-ylethylamine

생성물 1

HCID 22142601{6-[(2-{[4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl]amino}ethyl)amino]-3-nitro(2-pyridyl)}dimethylamine

출처 및 근거

ORD 기록
ord-5802973f1c7a4fcf826f872faafd31ba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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