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1,2-Dichloroethane → N-[2-tert-butoxy-5-(trifluoromethyl)benzyl]-1-(1-hydroxyethyl)-3-oxocyclopentanecarboxamide

HRID 696950
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HRID 696950 반응식
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][c:32]1[c:33]([CH2:42][NH2:43])[cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]1.[CH2:23]([Cl:24])[CH2:25][Cl:26].[Cl:44][CH2:45][Cl:46].[OH:13][n:14]1[c:15]2[n:16][cH:17][cH:18][cH:19][c:20]2[n:21][n:22]1.[OH:1][CH:2]([CH3:3])[C:4]1([C:10](=[O:11])[OH:12])[CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1>>[OH:1][CH:2]([CH3:3])[C:4]1([C:10](=[O:12])[NH:43][CH2:42][c:33]2[c:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:37][cH:36][c:35]([C:38]([F:39])([F:40])[F:41])[cH:34]2)[CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1
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반응물 5

HCID 111,2-DichloroethaneHCID 6344DichloromethaneHCID 181649HOAtHCID 431536542-Tert-butoxy-5-trifluoromethyl-benzylamineHCID 578805271-(1-Hydroxyethyl)-3-oxocyclopentanecarboxylic acid

생성물 1

HCID 59261003N-[2-tert-butoxy-5-(trifluoromethyl)benzyl]-1-(1-hydroxyethyl)-3-oxocyclopentanecarboxamide

출처 및 근거

ORD 기록
ord-458b080ef27f4117970f2ed2fc246f36
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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