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Sodium Ion → tert-butyl 3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate

HRID 184939
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인쇄 미리보기

반응식

HRID 184939 반응식
[CH3:15][CH:16]1[CH2:17][N:18]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20][NH:21]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:1][CH:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][c:10]21.[I-:30].[Na+:29].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[CH:2]1([N:21]2[CH:16]([CH3:15])[CH2:17][N:18]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:19][CH2:20]2)[CH2:3][CH2:4][c:5]2[cH:6][cH:7][c:8]([C:11]([F:12])([F:13])[F:14])[cH:9][c:10]21
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8

반응물 7

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 30165Iodide IonHCID 2756810tert-Butyl 3-methylpiperazine-1-carboxylateHCID 592126531-Chloro-6-(trifluoromethyl)indane

생성물 1

HCID 68251357
tert-butyl 3-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate

출처 및 근거

ORD 기록
ord-a3995f3df56f499fba0ab929280265a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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