Hydrochloric Acid → {2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}[4-(2,4-dichlorophenyl)-5-piperazinylpyrimidin-2-yl]amine

HRID 316180Notes

Reaction equation

HRID 316180 reaction equation
[CH3:43][OH:44].[ClH:42].[NH2:1][c:2]1[c:3]([N+:39](=[O:40])[O-:41])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]2[n:13][cH:14][c:15]([N:26]3[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]3)[c:16](-[c:18]3[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[n:17]2)[n:7]1>>[NH2:1][c:2]1[c:3]([N+:39](=[O:40])[O-:41])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]2[n:13][cH:14][c:15]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[c:16](-[c:18]3[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[n:17]2)[n:7]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 887MethanolHCID 22142685Tert-butyl 4-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]piperazinecarboxylate

Product 1

HCID 18334985{2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}[4-(2,4-dichlorophenyl)-5-piperazinylpyrimidin-2-yl]amine

Sources & evidence

ORD record
ord-60fea6e9f5634211b8a47ff07ed17a69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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