HRID2315152

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID66847534

未命名化合物

HCID67249455

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CC1CCn2c1cc1cc(OCc3cc(C#N)cc(OC(F)(F)F)c3)ccc12

HCID67250450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b2d5086761b4475a0374f684339ce97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[N:56]([C:57]([O:58][CH:59]([CH3:60])[CH3:61])=[O:62])=[N:63][C:64]([O:65][CH:66]([CH3:67])[CH3:68])=[O:69].[OH:1][c:2]1[cH:3][c:4]2[cH:5][c:6]3[n:7]([c:8]2[cH:9][cH:10]1)[CH2:11][CH2:12][CH:13]3[CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21].[OH:22][CH2:23][c:24]1[cH:25][c:26]([C:27]#[N:28])[cH:29][c:30]([O:32][C:33]([F:34])([F:35])[F:36])[cH:31]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[O:1]([c:2]1[cH:3][c:4]2[cH:5][c:6]3[n:7]([c:8]2[cH:9][cH:10]1)[CH2:11][CH2:12][CH:13]3[CH2:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:23][c:24]1[cH:25][c:26]([C:27]#[N:28])[cH:29][c:30]([O:32][C:33]([F:34])([F:35])[F:36])[cH:31]1