6-chloro-N-methyl-3-nitropyridin-2-amine → [4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl](2-{[6-(methylamino)-5-nitro(2-pyridyl)]amino}ethyl)amine

HRID 188821Notes

Reaction equation

HRID 188821 reaction equation
[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+:32](=[O:33])[O-:34])[c:28]([NH:30][CH3:31])[n:29]1.[Cl:35][c:36]1[c:37](-[c:43]2[n:44][c:45]([NH:54][CH2:55][CH2:56][NH:57][c:58]3[cH:59][cH:60][c:61]([N+:62]([O-:63])=[O:64])[c:65]([O:66][CH3:67])[n:68]3)[n:46][cH:47][c:48]2-[c:49]2[nH:50][cH:51][cH:52][n:53]2)[cH:38][cH:39][c:40]([Cl:42])[cH:41]1>>[c:24]1([NH:57][CH2:56][CH2:55][NH:54][c:45]2[n:44][c:43](-[c:37]3[c:36]([Cl:35])[cH:41][c:40]([Cl:42])[cH:39][cH:38]3)[c:48](-[c:49]3[n:50][cH:51][cH:52][nH:53]3)[cH:47][n:46]2)[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[c:28]([NH:30][CH3:31])[n:29]1

Participants

4

Reactant 3

HCID 107500946-chloro-N-methyl-3-nitropyridin-2-amineHCID 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

Product 1

HCID 22142846[4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl](2-{[6-(methylamino)-5-nitro(2-pyridyl)]amino}ethyl)amine

Sources & evidence

ORD record
ord-beecb0afd029430582ebfc5b4b559a7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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