HRID1543680

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7505

Benzonitrile

C7H5N

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(n4cnc5ccccc54)=C(C=O)CC32)C1

HCID72792318

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(n4cnc5ccccc54)=CCC32)C1

HCID72971740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de4108f6b784ee2997cc64e5aa31539
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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