HRID1237624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6572

Lactonitrile

C3H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

结构：O=C(NCc1ccc(O)cc1F)c1cccnc1Oc1ccc2c(c1)OCO2

HCID22610118

未命名化合物

PRODUCTS

生成物

结构：CC(C#N)Oc1ccc(CNC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)c(F)c1

HCID22610152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa68ef449a004a37abfeab2b5c182ab6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:29]([CH:30]([OH:31])[CH3:32])#[N:33].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([O:10][c:11]1[c:12]([C:13](=[O:14])[NH:15][CH2:16][c:17]3[c:18]([F:24])[cH:19][c:20]([OH:23])[cH:21][cH:22]3)[cH:25][cH:26][cH:27][n:28]1)[cH:9]2.[O:53]=[C:54]([O:55][CH2:56][CH3:57])[N:58]=[N:59][C:60]([O:61][CH2:62][CH3:63])=[O:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]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>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([O:10][c:11]1[c:12]([C:13](=[O:14])[NH:15][CH2:16][c:17]3[c:18]([F:24])[cH:19][c:20]([O:23][CH:30]([C:29]#[N:33])[CH3:32])[cH:21][cH:22]3)[cH:25][cH:26][cH:27][n:28]1)[cH:9]2