查数据/反应详情

HRID88599

反应详情

EQUATION

反应方程式

HRID 88599 的结构方程式

REACTANTS

反应物

2

结构：NCC(c1ccccc1)c1ccccc1

2,2-Diphenylethylamine

C14H15N

结构：CCc1cccc(CC)c1N=C=O

2,6-Diethylphenyl isocyanate

C11H13NO

PRODUCTS

生成物

1

结构：CCc1cccc(CC)c1NC(=O)NCC(c1ccccc1)c1ccccc1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72db571760d44d3098b47b31472735c0
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

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

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