7-Aminoheptanoic acid → 7-[3-[(3,4-dichlorophenyl)methyl-methyl-carbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]heptanoic acid

반응식

[Cl:11][c:12]1[cH:13][c:14]([CH2:15][N:16]([C:17](=[O:18])[C:19]2=[C:23]([OH:24])[C:22](=[O:25])[N:21]([CH3:26])[CH2:20]2)[CH3:27])[cH:28][cH:29][c:30]1[Cl:31].[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10]>>[N:1]1([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[OH:10])[CH2:20][C:19]([C:17]([N:16]([CH2:15][c:14]2[cH:13][c:12]([Cl:11])[c:30]([Cl:31])[cH:29][cH:28]2)[CH3:27])=[O:18])=[C:23]([OH:24])[C:22]1=[O:25]

참가 물질

반응물 2

HCID 135807-Aminoheptanoic acid

HCID 54697551N-[(3,4-dichlorophenyl)methyl]-4-hydroxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide

생성물 1

HCID 546917387-[3-[(3,4-dichlorophenyl)methyl-methyl-carbamoyl]-4-hydroxy-5-oxo-2H-pyrrol-1-yl]heptanoic acid

출처 및 근거

ORD 기록: ord-f8ce14c9d1cc45909fc54019661a8080
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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