Ethanol → Ethyl(1RS,2RS,3SR)-1-(3-Methoxyphenyl)-3-(3,4-methylenedioxyphenyl)indane-2-carboxylate

반응식

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1=[C:14]([c:15]2[cH:16][c:17]3[c:18]([cH:19][cH:20]2)[O:21][CH2:22][O:23]3)[c:13]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[CH:7]1[c:24]1[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][cH:29]1.[CH3:32][CH2:33][OH:34]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:24]2[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][cH:29]2)[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[CH:14]1[c:15]1[cH:16][c:17]2[c:18]([cH:19][cH:20]1)[O:21][CH2:22][O:23]2

참가 물질

반응물 2

HCID 702Ethanol

HCID 18969664Ethyl (1RS)-1-(3-Methoxyphenyl)-3-(3,4-methylenedioxyphenyl)indene-2-carboxylate

생성물 1

HCID 67643340Ethyl(1RS,2RS,3SR)-1-(3-Methoxyphenyl)-3-(3,4-methylenedioxyphenyl)indane-2-carboxylate

출처 및 근거

ORD 기록: ord-fc2a128746e24f4d88a9f361bb2d5a9b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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