HRID2141308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

结构：Fc1cccc(CNCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1

HCID11951591

未命名化合物

HCID22106269

tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate

C11H21ClN2O2

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(CCN(Cc2cccc(F)c2)Cc2nccn2Cc2cc(Cl)cc(Cl)c2)CC1

HCID57801494

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0fd1ac2caea4b5397bb9bf11162d51a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41](=[O:42])[N:43]1[CH2:44][CH2:45][N:46]([CH2:49][CH2:50][Cl:51])[CH2:47][CH2:48]1.[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:25][CH2:26][CH2:27][CH2:28][Li:29].[CH3:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7]([CH2:11][NH:12][CH2:13][c:14]3[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]3)[n:8][cH:9][cH:10]2)[cH:21][c:22]([Cl:24])[cH:23]1>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][n:6]2[c:7]([CH2:11][N:12]([CH2:13][c:14]3[cH:15][c:16]([F:20])[cH:17][cH:18][cH:19]3)[CH2:50][CH2:49][N:46]3[CH2:45][CH2:44][N:43]([C:41]([O:40][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:42])[CH2:48][CH2:47]3)[n:8][cH:9][cH:10]2)[cH:21][c:22]([Cl:24])[cH:23]1