HRID1236118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID5975

Cyanide

CN-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

结构：COC(=O)c1ccc(Cc2cccc3ccc([N+]#N)cc23)c(OC)c1

HCID19906394

未命名化合物

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Cc2cccc3ccc(C#N)cc23)c(OC)c1

HCID19906375

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0e403bb5f0b4d6ca6e30801b466c891
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

[B-:6]([F:7])([F:8])([F:9])[F:10].[C-:1]#[N:2].[CH3:11][O:12][C:13](=[O:14])[c:15]1[cH:16][c:17]([O:34][CH3:35])[c:18]([CH2:21][c:22]2[cH:23][cH:24][cH:25][c:26]3[cH:27][cH:28][c:29]([N+:32]#[N:33])[cH:30][c:31]23)[cH:19][cH:20]1.[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Na:3][C:4]#[N:5].[OH2:47]>>[C:4](#[N:5])[c:29]1[cH:28][cH:27][c:26]2[cH:25][cH:24][cH:23][c:22]([CH2:21][c:18]3[c:17]([O:34][CH3:35])[cH:16][c:15]([C:13]([O:12][CH3:11])=[O:14])[cH:20][cH:19]3)[c:31]2[cH:30]1