Bicarbonate Ion → 1-(3-Methylpiperazin-1-yl)-4-phenylphthalazine

HRID 147974Notes

Reaction equation

HRID 147974 reaction equation
[CH3:1][CH:2]1[N:3]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:4][CH2:5][N:6]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[CH2:7]1.[Cl:43][CH2:44][Cl:45].[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37]>>[CH3:1][CH:2]1[NH:3][CH2:4][CH2:5][N:6]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]23)[CH2:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 68723383HCID 68723383, compound

Product 1

HCID 575814991-(3-Methylpiperazin-1-yl)-4-phenylphthalazine

Sources & evidence

ORD record
ord-499c6956c37c4391aa39996d3b43d7e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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