Acetic Acid → 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-(2-methoxyphenyl)-thiophene-3-carboxylic acid ethyl ester

반응식

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

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 6811Phthalic Anhydride

HCID 16787922Ethyl 2-amino-4-(2-methoxyphenyl)thiophene-3-carboxylate

생성물 1

HCID 670735632-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-(2-methoxyphenyl)-thiophene-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-5cba0fa8fb404e58a7f84187846741a9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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