Methanol → 1-[3-(4-Oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-3-phenyl-3-propylpyrrolidine-2,5-dione

반응식

[CH3:37][OH:38].[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.[c:20]1([C:26]([C:27](=[O:28])[OH:33])([CH2:30][C:31]([OH:29])=[O:32])[CH2:34][CH2:35][CH3:36])[cH:21][cH:22][cH:23][cH:24][cH:25]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:27](=[O:28])[C:26]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)([CH2:34][CH2:35][CH3:36])[CH2:30][C:31]1=[O:32]

참가 물질

반응물 3

HCID 887Methanol

HCID 2359142-Phenyl-2-propylsuccinic acid

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

생성물 1

HCID 184443401-[3-(4-Oxo-3,4-dihydrophthalazin-1-ylmethyl)phenyl]-3-phenyl-3-propylpyrrolidine-2,5-dione

출처 및 근거

ORD 기록: ord-43fff8589f9743f195f7a4f311abab3b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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