Veratric Acid → 3-(3,4-Dimethoxybenzoyl)amino-epsilon-caprolactam

반응식

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

참가 물질

반응물 3

HCID 7121Veratric Acid

HCID 8028Tetrahydrofuran

HCID 215841384-Aminoazepan-2-one

생성물 1

HCID 190904203-(3,4-Dimethoxybenzoyl)amino-epsilon-caprolactam

출처 및 근거

ORD 기록: ord-c371c3ce06df43b795f73ef27975f566
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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