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Tetrahydrofuran → {4-[2-(4-Fluorophenyl)ethyl]piperazin-1-yl}isoquinolin-1-ylmethanone

HRID 169087
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인쇄 미리보기

반응식

HRID 169087 반응식
[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[F:26][c:27]1[cH:28][cH:29][c:30]([CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]2)[cH:31][cH:32]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[c:13]1([C:23](=[O:24])[OH:25])[n:14][cH:15][cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12>>[c:13]1([C:23](=[O:25])[N:38]2[CH2:37][CH2:36][N:35]([CH2:34][CH2:33][c:30]3[cH:29][cH:28][c:27]([F:26])[cH:32][cH:31]3)[CH2:40][CH2:39]2)[n:14][cH:15][cH:16][c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]12
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 68092Isoquinoline-1-carboxylic acidHCID 682631,1'-CarbonyldiimidazoleHCID 112545221-(2-(4-Fluorophenyl)ethyl)piperazine

생성물 1

HCID 9885359{4-[2-(4-Fluorophenyl)ethyl]piperazin-1-yl}isoquinolin-1-ylmethanone

출처 및 근거

ORD 기록
ord-93046489b51548d1a9e248f7057ad17b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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