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Ethanol → 5-(2-Isopropoxy-3-methyl-benzoylamino)-1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid

HRID 137872
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HRID 137872 반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:16][C:17]([c:18]2[c:19]([O:25][CH:26]([CH3:27])[CH3:28])[c:20]([CH3:24])[cH:21][cH:22][cH:23]2)=[O:29])[CH2:7][c:8]2[c:9]([c:10]([CH3:14])[s:11][c:12]2[CH3:13])[CH2:15]1.[CH3:33][CH2:34][OH:35].[K+:31].[OH-:30].[OH2:32]>>[O:3]=[C:4]([OH:5])[C:6]1([NH:16][C:17]([c:18]2[c:19]([O:25][CH:26]([CH3:27])[CH3:28])[c:20]([CH3:24])[cH:21][cH:22][cH:23]2)=[O:29])[CH2:7][c:8]2[c:9]([c:10]([CH3:14])[s:11][c:12]2[CH3:13])[CH2:15]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 59314177HCID 59314177, 화합물

생성물 1

HCID 593144135-(2-Isopropoxy-3-methyl-benzoylamino)-1,3-dimethyl-5,6-dihydro-4H-cyclopenta[c]thiophene-5-carboxylic acid

출처 및 근거

ORD 기록
ord-751cdb3e592341d1bfa5699885c4280d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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