HRID1120509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62412

tert-Butyl isocyanate

C5H9NO

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(N)cc1

HCID19690043

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(NC(=O)NC(C)(C)C)cc1

HCID19690014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85c43d35cc5348149df33533ec096957
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

反应 SMILES

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