HRID1564472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CNC(c1ccccc1)c1ccccc1

HCID1645639

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1NC(=O)CN(C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1

HCID19874922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a574e7bfd8d4811a3477c99accc1387
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

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