查数据/反应详情

HRID321662

反应详情

EQUATION

反应方程式

HRID 321662 的结构方程式

REACTANTS

反应物

2

结构：CCCCCCCCCCCCCCCCCCN=C=O

Octadecyl isocyanate

C19H37NO

结构：CC1(C)CNC(=O)CC(C)(C)N1

未命名化合物

PRODUCTS

生成物

1

结构：CCCCCCCCCCCCCCCCCCNC(=O)N1CC(C)(C)NC(C)(C)CC1=O

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e6020bee01f4ba79bba666de68955bb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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

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