Acetic Acid → 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-methoxyisoindoline-1,3-dione

반응식

[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:12]([CH2:13][S:14](=[O:15])(=[O:16])[CH3:17])[NH2:18])[cH:7][cH:8][c:9]1[O:10][CH3:11].[CH3:19][O:20][c:21]1[c:22]2[c:23]([cH:29][cH:30][cH:31]1)[C:24](=[O:25])[O:26][C:27]2=[O:28].[CH3:32][C:33](=[O:34])[OH:35]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([CH:12]([CH2:13][S:14](=[O:15])(=[O:16])[CH3:17])[N:18]2[C:24](=[O:25])[c:23]3[c:22]([c:21]([O:20][CH3:19])[cH:31][cH:30][cH:29]3)[C:27]2=[O:26])[cH:7][cH:8][c:9]1[O:10][CH3:11]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 2911934-Methoxy-1,3-dihydro-2-benzofuran-1,3-dione

HCID 112887921-(3-Ethoxy-4-methoxy-phenyl)-2-methanesulfonyl-ethylamine

생성물 1

HCID 98241842-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4-methoxyisoindoline-1,3-dione

출처 및 근거

ORD 기록: ord-9d2b3bb8ebd344d281e0bae4806d910b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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