HRID1225260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7672

Phenyl isocyanate

C7H5NO

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(N)CC1

HCID178466405

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1

HCID178466414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f9104abbfd54d7caa1e486de67c51e7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[N:10]2[C:11]([c:31]3[cH:32][n:33][c:34]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:35][c:36]3[O:37][CH2:38][CH3:39])=[N:12][C:13]([CH3:23])([c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[C:14]2([CH3:15])[c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:6][CH2:7]1.[O:44]=[C:45]=[N:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[N:10]2[C:11]([c:31]3[cH:32][n:33][c:34]([C:40]([CH3:41])([CH3:42])[CH3:43])[cH:35][c:36]3[O:37][CH2:38][CH3:39])=[N:12][C:13]([CH3:23])([c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[C:14]2([CH3:15])[c:16]2[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]2)[CH2:6][CH2:7]1)[C:45](=[O:44])[NH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1