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Acetate → Methyl 4-[(4-cyclohexylphenyl)amino]-5-methylthiothiophene-2-carboxylate

HRID 108659
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인쇄 미리보기

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HRID 108659 반응식
[Br:1][c:2]1[cH:3][c:4]([C:8](=[S:9])[O:10][CH3:11])[s:5][c:6]1[CH3:7].[C:12](=[O:13])([O-:14])[O-:15].[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[CH:18]1([c:24]2[cH:25][cH:26][c:27]([NH2:28])[cH:29][cH:30]2)[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[Cs+:16].[Cs+:17].[O-:32][C:33]([CH3:34])=[O:35].[O-:36][C:37]([CH3:38])=[O:39].[Pd+2:31]>>[c:2]1([NH:28][c:27]2[cH:26][cH:25][c:24]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:30][cH:29]2)[cH:3][c:4]([C:8](=[S:9])[O:10][CH3:11])[s:5][c:6]1[CH3:7]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 175Acetate2회HCID 1140TolueneHCID 19660Carbonate IonHCID 807644-CyclohexylbenzenamineHCID 104967Cesium cation2회HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 86583861Methyl 4-bromo-5-methylthiothiophene-2-carboxylate

출처 및 근거

ORD 기록
ord-6d9f786d09794aa39f156f3cd8b2c22b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 86758686Methyl 4-[(4-cyclohexylphenyl)amino]-5-methylthiothiophene-2-carboxylate