HRID281635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C

HCID2837084

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)Nc3ccccc3)cc2C(C)(c2ccccc2)CC1(C)C

HCID11407702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-811042c2e35f4f159edaf4c1977b3e40
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:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]21.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[O:24]=[C:25]=[N:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH:14][C:25](=[O:24])[NH:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:11][cH:12][c:13]21