Ammonia → 4-(2-((6-Methoxypyridin-3-yl)amino)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

HRID 1224376Notes

Reaction equation

HRID 1224376 reaction equation
[CH3:2][CH:3]([OH:4])[CH3:5].[CH3:6][O:7][c:8]1[cH:9][cH:10][c:11]([NH:14][c:15]2[n:16][cH:17][c:18]([CH2:30][N:31]3[CH2:32][CH2:33][N:34]([S:37](=[O:38])(=[O:39])[CH3:40])[CH2:35][CH2:36]3)[cH:19][c:20]2-[c:21]2[n:22][c:23]([S:28][CH3:29])[n:24][c:25]([CH3:27])[n:26]2)[cH:12][n:13]1.[NH3:1]>>[NH2:1][c:23]1[n:22][c:21](-[c:20]2[c:15]([NH:14][c:11]3[cH:10][cH:9][c:8]([O:7][CH3:6])[n:13][cH:12]3)[n:16][cH:17][c:18]([CH2:30][N:31]3[CH2:32][CH2:33][N:34]([S:37](=[O:38])(=[O:39])[CH3:40])[CH2:35][CH2:36]3)[cH:19]2)[n:26][c:25]([CH3:27])[n:24]1

Participants

4

Reactant 3

HCID 222AmmoniaHCID 3776IsopropanolHCID 66599816N-(6-methoxypyridin-3-yl)-3-(4-methyl-6-(methylthio)-1,3,5-triazin-2-yl)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-2-amine

Product 1

HCID 497848944-(2-((6-Methoxypyridin-3-yl)amino)-5-((4-(methylsulfonyl)piperazin-1-yl)methyl)pyridin-3-yl)-6-methyl-1,3,5-triazin-2-amine

Sources & evidence

ORD record
ord-2ab3926dedb74b459db492a908ea9d58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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