HRID193520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2783149

4-(Bromomethyl)-3-fluorobenzonitrile

C8H5BrFN

结构：Oc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1CC1CCCCC1

HCID136378478

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(COc2cc(Cl)ccc2-c2nc3cc(F)c(F)cc3n2CC2CCCCC2)c(F)c1

HCID67049640

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3167698728fb44c094777f933a7a93ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:27][CH2:28][c:29]1[c:30]([F:37])[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([OH:8])[cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:9]2[n:10][c:11]3[c:12]([n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[cH:21][c:22]([F:26])[c:23]([F:25])[cH:24]3)[c:6]([O:8][CH2:28][c:29]2[c:30]([F:37])[cH:31][c:32]([C:33]#[N:34])[cH:35][cH:36]2)[cH:7]1