HRID1130748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID68022

Benzenemethanol, 4-fluoro-

C7H7FO

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3[nH]2)CC1

HCID18333235

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)c2nc3ccccc3n2Cc2ccc(F)cc2)CC1

HCID18333339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47689356dcca4565aa3273234d537525
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][cH:22][cH:23][cH:24]3)[CH2:12][CH2:13]1.[F:25][c:26]1[cH:27][cH:28][c:29]([CH2:30][OH:31])[cH:32][cH:33]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:14](=[O:15])[c:16]2[n:17]([CH2:30][c:29]3[cH:28][cH:27][c:26]([F:25])[cH:33][cH:32]3)[c:18]3[c:19]([n:20]2)[cH:21][cH:22][cH:23][cH:24]3)[CH2:12][CH2:13]1