HRID2141470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：CC(C)(CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3N)cc2)C1=O)NC(=O)OC(C)(C)C

HCID178447208

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)Nc1ccccc1-c1ccc(CN2C(=O)C(NC(=O)CC(C)(C)NC(=O)OC(C)(C)C)CCc3ccccc32)cc1

HCID178457918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d226753b723541acaf2c355be7d30ff0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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