HRID155974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID736029

4-Bromo-2-fluorobenzonitrile

C7H3BrFN

HCID25067323

Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

C12H14O4

结构：COC(=O)c1cc(Oc2ccc(C(=O)N(C)C)nc2)c2c(c1)OC(C)(C)C2

HCID59560224

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Oc2ccc(C#N)c(F)c2)c2c(c1)OC(C)(C)C2

HCID66756229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79e4d3f1994c406d957e632231c5a0cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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