1-(Carboxymethyl)cyclopentanecarboxylic acid → 2-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione

반응식

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

참가 물질

반응물 2

HCID 2582911-(Carboxymethyl)cyclopentanecarboxylic acid

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

생성물 1

HCID 184443452-[2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione

출처 및 근거

ORD 기록: ord-042f6429c2e543b28c99e0c9d9092510
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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