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Dichloromethane → tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate

HRID 156861
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HRID 156861 반응식
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22](=[O:23])[NH:24][CH:25]1[CH2:26][C:27]([C:30](=[O:31])[OH:32])([CH:33]([CH3:34])[CH3:35])[CH2:28][CH2:29]1.[CH2:70]([Cl:71])[Cl:72].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[CH3:73][CH2:74][O:75][C:76]([CH3:77])=[O:78].[F:1][C:2]([c:3]1[cH:4][c:5]([N:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:6][cH:7][cH:8]1)([F:15])[F:16].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42].[n:43]1([O:44][P+:45]([N:46]([CH3:47])[CH3:48])([N:49]([CH3:50])[CH3:51])[N:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([N:9]2[CH2:10][CH2:11][N:12]([C:30]([C:27]3([CH:33]([CH3:34])[CH3:35])[CH2:26][CH:25]([NH:24][C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:23])[CH2:29][CH2:28]3)=[O:31])[CH2:13][CH2:14]2)[n:6][cH:7][cH:8]1)([F:15])[F:16]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 112184921-[4-(Trifluoromethyl)pyridin-2-yl]piperazineHCID 23533517
3-(Tert-butoxycarbonylamino)-1-isopropylcyclopentanecarboxylic acid

생성물 1

HCID 72573887tert-butyl N-[3-propan-2-yl-3-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]cyclopentyl]carbamate

출처 및 근거

ORD 기록
ord-e9560d5946fa46e99778d116e097163e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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