Sodium ion → 4-chloro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-5,6,7,8-tetrahydrophthalazin-1-amine

HRID 142789Notes

Reaction equation

HRID 142789 reaction equation
[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([O:51][CH3:52])[cH:53][cH:54][cH:55][c:56]2[O:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1.[Cl:1][c:2]1[n:3][n:4][c:5]([Cl:12])[c:6]2[c:11]1[CH2:10][CH2:9][CH2:8][CH2:7]2.[NH2:13][c:14]1[cH:15][cH:16][c:17]([O:18][c:19]2[n:20][cH:21][cH:22][cH:23][c:24]2-[c:25]2[n:26][c:27]([NH:31][CH3:32])[n:28][cH:29][cH:30]2)[cH:33][cH:34]1.[Na+:69]>>[c:2]1([NH:13][c:14]2[cH:15][cH:16][c:17]([O:18][c:19]3[n:20][cH:21][cH:22][cH:23][c:24]3-[c:25]3[n:26][c:27]([NH:31][CH3:32])[n:28][cH:29][cH:30]3)[cH:33][cH:34]2)[n:3][n:4][c:5]([Cl:12])[c:6]2[c:11]1[CH2:10][CH2:9][CH2:8][CH2:7]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 45749132-Methylpropan-2-olateHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 126224401,4-Dichloro-5,6,7,8-tetrahydrophthalazineHCID 469295414-(2-(4-aminophenoxy)pyridin-3-yl)-N-methylpyrimidin-2-amine

Product 1

HCID 577562304-chloro-N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-5,6,7,8-tetrahydrophthalazin-1-amine

Sources & evidence

ORD record
ord-3026289acf25474eb8340724c36548b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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