Methanol → 2-[3-(4-Oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione

반응식

[C:20](=[O:21])([CH2:23][C:24]1([C:29]([OH:22])=[O:30])[CH2:25][CH2:26][CH2:27][CH2:28]1)[OH:31].[CH3:32][OH:33].[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][cH:19]1>>[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][cH:19]2)[C:20](=[O:21])[CH2:23][C:24]2([CH2:25][CH2:26][CH2:27][CH2:28]2)[C:29]1=[O:30]

참가 물질

반응물 3

HCID 887Methanol

HCID 2582911-(Carboxymethyl)cyclopentanecarboxylic acid

HCID 184443754-(3-aminobenzyl)-2H-phthalazin-1-one

생성물 1

HCID 184443482-[3-(4-Oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-2-azaspiro[4.4]nonane-1,3-dione

출처 및 근거

ORD 기록: ord-752fd4ce81af4403b0e2103a7658afd7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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