HRID702044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID53345675

未命名化合物

HCID66847534

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC1CCc2c1[nH]c1ccc(OCc3cc(C#N)cc(OC(F)(F)F)c3)cc21

HCID67220818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7a718c2a2774c459bb07d803056d9c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[O:54]=[C:55]([O:56][CH:57]([CH3:58])[CH3:59])[N:60]=[N:61][C:62]([O:63][CH:64]([CH3:65])[CH3:66])=[O:67].[OH2:73].[OH:1][c:2]1[cH:3][c:4]2[c:5]3[c:6]([nH:7][c:8]2[cH:9][cH:10]1)[CH:11]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:12][CH2:13]3.[OH:20][CH2:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][c:28]([O:30][C:31]([F:32])([F:33])[F:34])[cH:29]1.[c:35]1([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[O:1]([c:2]1[cH:3][c:4]2[c:5]3[c:6]([nH:7][c:8]2[cH:9][cH:10]1)[CH:11]([CH2:14][C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:12][CH2:13]3)[CH2:21][c:22]1[cH:23][c:24]([C:25]#[N:26])[cH:27][c:28]([O:30][C:31]([F:32])([F:33])[F:34])[cH:29]1