Ethanol → Ethyl trans-2-[4-(4-aminocyclohexyl)phenoxy]-2,2-dimethylacetate

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[NH:8][CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([O:19][C:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]2)[CH2:13][CH2:14]1.[CH3:30][CH2:31][OH:32]>>[NH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([c:15]2[cH:16][cH:17][c:18]([O:19][C:20]([C:21](=[O:22])[O:23][CH2:24][CH3:25])([CH3:26])[CH3:27])[cH:28][cH:29]2)[CH2:13][CH2:14]1

참가 물질

반응물 2

HCID 702Ethanol

HCID 69195034Ethyl trans-2-{4-[4-(benzylamino)cyclohexyl]phenoxy}-2,2-dimethylacetate

생성물 1

HCID 69196081Ethyl trans-2-[4-(4-aminocyclohexyl)phenoxy]-2,2-dimethylacetate

출처 및 근거

ORD 기록: ord-0dac2c1010f949fabb3bc784010c23ec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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