HRID119204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID97268

Di-tert-butyl azodicarboxylate

C10H18N2O4

HCID2782944

3-Fluoro-4-hydroxybenzonitrile

C7H4FNO

结构：OCC(C1CCCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619310

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(OCC(C2CCCCC2)n2c(-c3ccc(Cl)cc3)nc3cc(F)c(F)cc32)c(F)c1

HCID66619445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40d41d9f8255464a9aaf5035fdde22c1
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

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