HRID121374

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76639

Benzyl isocyanate

C8H7NO

结构：COc1ccc(S(=O)(=O)N2CC=CCC(N)C2C(=O)OC(C)(C)C)cc1

HCID12087868

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)NCc3ccccc3)C2C(=O)OC(C)(C)C)cc1

HCID12087873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb86aaef0fbe479082d44a76772ceabf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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