HRID111792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID2059995

1-isocyanatoadamantane

C11H15NO

结构：COc1ccc(C(OC2CNC2)c2ccccc2C(F)(F)F)cc1

HCID68903848

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(OC2CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)c2ccccc2C(F)(F)F)cc1

HCID11432282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d367ee14cb214a9c80e74da70a4766e1
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:25]12([N:35]=[C:36]=[O:37])[CH2:26][CH:27]3[CH2:28][CH:29]([CH2:30][CH:31]([CH2:32]1)[CH2:33]3)[CH2:34]2.[Cl:38][CH2:39][Cl:40].[F:1][C:2]([c:3]1[c:4]([CH:5]([c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][cH:11]2)[O:14][CH:15]2[CH2:16][NH:17][CH2:18]2)[cH:19][cH:20][cH:21][cH:22]1)([F:23])[F:24]>>[F:1][C:2]([c:3]1[c:4]([CH:5]([c:6]2[cH:7][cH:8][c:9]([O:12][CH3:13])[cH:10][cH:11]2)[O:14][CH:15]2[CH2:16][N:17]([C:36]([NH:35][C:25]34[CH2:26][CH:27]5[CH2:28][CH:29]([CH2:30][CH:31]([CH2:32]3)[CH2:33]5)[CH2:34]4)=[O:37])[CH2:18]2)[cH:19][cH:20][cH:21][cH:22]1)([F:23])[F:24]