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Dichloromethane → Methyl 5-[3-[acetyl(cyclohexyl)amino]phenyl]-4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

HRID 123847
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반응식

HRID 123847 반응식
[CH2:46]([Cl:47])[Cl:48].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH3:42][C:43]([Cl:44])=[O:45].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([N:26]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[C:43]([CH3:42])=[O:45])[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 81531DiisopropylethylamineHCID 57640828Methyl 4-bromo-5-[3-(cyclohexylamino)phenyl]-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

생성물 1

HCID 57640867Methyl 5-[3-[acetyl(cyclohexyl)amino]phenyl]-4-bromo-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]thiophene-2-carboxylate

출처 및 근거

ORD 기록
ord-c55deda796f046fe9cba703f43fa4dba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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