HRID169087

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID68092

Isoquinoline-1-carboxylic acid

C10H7NO2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID11254522

1-[2-(4-fluorophenyl)ethyl]piperazine

C12H17FN2

PRODUCTS

生成物

结构：O=C(c1nccc2ccccc12)N1CCN(CCc2ccc(F)cc2)CC1

HCID9885359

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93046489b51548d1a9e248f7057ad17b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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