Water → N-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-2-methylsuccinamic acid

HRID 160111

Reaction equation

[CH3:21][CH:22]1[C:23](=[O:28])[O:24][C:25](=[O:27])[CH2:26]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[NH2:1][c:2]1[cH:3][c:4]([CH2:5][c:6]2[n:7][nH:8][c:9](=[O:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:17][cH:18][c:19]1[F:20].[OH2:36]>>[NH:1]([c:2]1[cH:3][c:4]([CH2:5][c:6]2[n:7][nH:8][c:9](=[O:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[cH:17][cH:18][c:19]1[F:20])[C:25]([CH2:26][CH:22]([CH3:21])[C:23](=[O:24])[OH:28])=[O:27]

Participants

Reactant 4

HCID 962Water

HCID 1140Toluene

HCID 20051Methylsuccinic anhydride

HCID 184443734-(3-amino-4-fluorobenzyl)-2H-phthalazin-1-one

Product 1

HCID 18444382N-[2-fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-2-methylsuccinamic acid

Sources & evidence

ORD record: ord-71c7d490476b43c1adadf72af62f7eb8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

Loading…