HRID292579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID2733315

3-Cyanophenyl isocyanate

C8H4N2O

HCID11538012

未命名化合物

PRODUCTS

产物

HCID58677596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5d4af717d35c4c169d0bf5ac9d1e98f8
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

[C:27](#[N:28])[c:29]1[cH:30][c:31]([N:35]=[C:36]=[O:37])[cH:32][cH:33][cH:34]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:25])[cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1.[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH3:26])[c:6]([C:8](=[O:9])[c:10]2[c:11]([Cl:25])[cH:12][c:13]([NH:16][c:17]3[c:18]([F:24])[cH:19][c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15]2)[cH:7]1)[C:36]([NH:35][c:31]1[cH:30][c:29]([C:27]#[N:28])[cH:34][cH:33][cH:32]1)=[O:37]