Sodium ion → 4-phenyl-N-(4-(5-(pyridin-4-yl)pyrimidin-4-yloxy)phenyl)phthalazin-1-amine

HRID 1231346Notes

Reaction equation

HRID 1231346 reaction equation
[Cl:53][CH2:54][Cl:55].[I:10][c:11]1[c:12]([O:17][c:18]2[cH:19][cH:20][c:21]([NH:24][c:25]3[n:26][n:27][c:28](-[c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:29]4[cH:30][cH:31][cH:32][cH:33][c:34]34)[cH:22][cH:23]2)[n:13][cH:14][n:15][cH:16]1.[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:56].[n:1]1[cH:2][cH:3][c:4]([B:7]([OH:8])[OH:9])[cH:5][cH:6]1>>[n:1]1[cH:2][cH:3][c:4](-[c:11]2[c:12]([O:17][c:18]3[cH:19][cH:20][c:21]([NH:24][c:25]4[n:26][n:27][c:28](-[c:35]5[cH:36][cH:37][cH:38][cH:39][cH:40]5)[c:29]5[cH:30][cH:31][cH:32][cH:33][c:34]45)[cH:22][cH:23]3)[n:13][cH:14][n:15][cH:16]2)[cH:5][cH:6]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 2734379(Pyridin-4-yl)boronic acidHCID 66731498N-(4-(5-iodopyrimidin-4-yloxy)phenyl)-4-phenylphthalazin-1-amine

Product 1

HCID 577562424-phenyl-N-(4-(5-(pyridin-4-yl)pyrimidin-4-yloxy)phenyl)phthalazin-1-amine

Sources & evidence

ORD record
ord-54c846efc4c5474fb4fd199ce4441b39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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