Ethanol → 1-[2-(N-isopropyl-N-2-hydroxyethylamino)-propyl]-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 6354Ethylene Oxide

HCID 128324101-(2-isopropylaminopropyl)-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

생성물 1

HCID 203872931-[2-(N-isopropyl-N-2-hydroxyethylamino)-propyl]-9-methoxy-3,4,5,5a,6,7-hexahydro-2H-naphth[1,2-d]azepin-2-one

출처 및 근거

ORD 기록: ord-4eb768ae128e4810a235c43bea74f6a2
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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