HRID664025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID94416

p-Isopropylphenyl isocyanate

C10H11NO

结构：CCCCCCCN(CCc1ccc(CC(OCc2ccccc2)C(=O)OCC)cc1)C(=O)OC(C)(C)C

HCID69884390

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCN(CCc1ccc(CC(OCc2ccccc2)C(=O)OCC)cc1)C(=O)Nc1ccc(C(C)C)cc1

HCID69884479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0233ca480342420eab492f964467627e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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