HRID281341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID303857

Ethyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate

C10H10N2O3

结构：CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(C#N)ccc21

HCID22349324

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)n1c(=O)n(Cc2nc3cc(C#N)ccc3n2CCC(C)C)c2ccccc21

HCID69717443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a15d9932ef01467c94ac5c7e562b0b05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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