HRID145661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID62412

tert-Butyl isocyanate

C5H9NO

HCID10157767

未命名化合物

PRODUCTS

产物

HCID67237980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a545a1bdd8ec4a1781e5c6e6e689d03e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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