Potassium Cation → [4-[4-[4-(2-Hydroxyethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone

HRID 2123510Notes

Reaction equation

HRID 2123510 reaction equation
[CH3:1][CH:2]1[CH2:3][N:4]([C:33](=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:5][CH2:6][N:7]1[c:8]1[n:9][n:10][c:11](-[c:18]2[cH:19][cH:20][c:21]([CH2:24][CH2:25][O:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][O:32]3)[cH:22][cH:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH3:58][OH:59].[K+:52].[K+:53].[O-:54][C:55]([O-:56])=[O:57].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[CH3:1][CH:2]1[CH2:3][N:4]([C:33](=[O:34])[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:5][CH2:6][N:7]1[c:8]1[n:9][n:10][c:11](-[c:18]2[cH:19][cH:20][c:21]([CH2:24][CH2:25][OH:26])[cH:22][cH:23]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 6101p-Toluenesulfonic acidHCID 19660Carbonate IonHCID 25152019[3-Methyl-4-[4-[4-[2-(oxan-2-yloxy)ethyl]phenyl]phthalazin-1-yl]piperazin-1-yl]-phenylmethanone

Product 1

HCID 25152020[4-[4-[4-(2-Hydroxyethyl)phenyl]phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone

Sources & evidence

ORD record
ord-c0b9b15af58840cf8d9843dd9b7df1b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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