HRID90866

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11534

Bromoacetonitrile

C2H2BrN

HCID166653

Hydride

H-

HCID5360545

Sodium

结构：COc1cc(OCC(=O)O)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O

HCID10201488

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OCC#N)c2c3c(n(Cc4ccccc4)c2c1)CCCC3C(N)=O

HCID10134925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcc949de81b843e2ab241b4693340d9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:39][CH2:40][C:41]#[N:42].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[c:10]2[cH:11][c:12]([O:30][CH3:31])[cH:13][c:14]([O:25][CH2:26][C:27]([OH:28])=[O:29])[c:15]2[c:16]2[c:21]1[CH2:20][CH2:19][CH2:18][CH:17]2[C:22]([NH2:23])=[O:24].[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[H-:37].[Na+:38].[Na:1].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[n:9]1[c:10]2[cH:11][c:12]([O:30][CH3:31])[cH:13][c:14]([O:25][CH2:26][C:27]#[N:33])[c:15]2[c:16]2[c:21]1[CH2:20][CH2:19][CH2:18][CH:17]2[C:22]([NH2:23])=[O:24]