Acetate → 1-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide

HRID 831160Notes

Reaction equation

HRID 831160 reaction equation
[CH3:42][C:43](=[O:44])[O-:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[n:8][n:9][c:10]([CH2:17][c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:24][cH:25]1.[Na+:37].[OH:26][O:27][C:28]([c:29]1[cH:30][c:31]([Cl:32])[cH:33][cH:34][cH:35]1)=[O:36].[OH:38][C:39](=[O:40])[O-:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][c:7]2[n:8][n+:9]([O-:26])[c:10]([CH2:17][c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:24][cH:25]1

Participants

6

Reactant 5

HCID 175AcetateHCID 769Bicarbonate IonHCID 923Sodium ionHCID 70297m-Chloroperbenzoic acidHCID 151194Vatalanib

Product 1

HCID 227419791-(4-Chloroanilino)-4-(4-pyridylmethyl)phthalazine-3-oxide

Sources & evidence

ORD record
ord-cf12a70d1f254aee9f90b8983ee8497e
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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