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

HRID 112478

반응식

HRID 112478 반응식
[Cl:1][c:2]1[cH:3][c:4]([Cl:5])[cH:6][cH:7][c:8]1-[c:9]1[c:10](-[c:11]2[nH:12][cH:13][cH:14][n: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+:36](=[O:37])[O-:38])[c:28]([O:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[n:29]1.[Cl:39][c:40]1[c:41](-[c:47]2[n:48][c:49]([NH:58][CH2:59][CH2:60][NH:61][c:62]3[cH:63][cH:64][c:65]([N+:66]([O-:67])=[O:68])[c:69]([O:70][CH3:71])[n:72]3)[n:50][cH:51][c:52]2-[c:53]2[nH:54][cH:55][cH:56][n:57]2)[cH:42][cH:43][c:44]([Cl:46])[cH:45]1>>[c:24]1([NH:61][CH2:60][CH2:59][NH:58][c:49]2[n:48][c:47](-[c:41]3[c:40]([Cl:39])[cH:45][c:44]([Cl:46])[cH:43][cH:42]3)[c:52](-[c:53]3[n:54][cH:55][cH:56][nH:57]3)[cH:51][n:50]2)[cH:25][cH:26][c:27]([N+:36](=[O:37])[O-:38])[c:28]([O:30][CH2:31][CH2:32][N:33]([CH3:34])[CH3:35])[n:29]1

참가 물질

4

반응물 3

HCID 22142413[2-(6-Chloro-3-nitro(2-pyridyloxy))ethyl]dimethylamineHCID 22142635[4-(2,4-Dichlorophenyl)-5-imidazol-2-ylpyrimidin-2-yl]{2-[(6-methoxy-5-nitro(2-pyridyl)) amino]ethyl}amineHCID 542317734-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-ylethylamine

생성물 1

HCID 22142436(2-{6-[(2-{[4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl]amino}ethyl)-amino]-3-nitro(2-pyridyloxy)}ethyl)dimethylamine

출처 및 근거

ORD 기록
ord-60ebd72edc52474c80bf48dd34b7a353
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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