Acetic Acid → 2-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-dimethylaminoisoindoline-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][N:20]([c:21]1[cH:22][c:23]2[c:24]([cH:30][cH:31]1)[C:25](=[O:26])[O:27][C:28]2=[O:29])[CH3:32].[CH3:33][C:34](=[O:35])[OH:36]>>[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:25](=[O:26])[c:24]3[c:23]([cH:22][c:21]([N:20]([CH3:19])[CH3:32])[cH:31][cH:30]3)[C:28]2=[O:27])[cH:7][cH:8][c:9]1[O:10][CH3:11]

참가 물질

반응물 3

HCID 176Acetic Acid

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

HCID 114354424-(Dimethylamino)phthalic anhydride

생성물 1

HCID 193618422-[1-(3-Ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-5-dimethylaminoisoindoline-1,3-dione

출처 및 근거

ORD 기록: ord-9958dee2ee9e4737a5752d4679a583ca
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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