HRID805193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：CC(C)(C)OC(=O)N1CCN(C2CCC2)CC1C(=O)N1CCNCC1

HCID178452219

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C2CCC2)CC1C(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

HCID76584809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a4db905e35e4ca088d70d4ebe9677bb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH:1]1([N:5]2[CH2:6][CH:7]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]3)[N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1.[Cl:46][CH2:47][Cl:48].[F:33][C:34]([c:35]1[cH:36][cH:37][c:38]([N:41]=[C:42]=[O:43])[cH:39][cH:40]1)([F:44])[F:45]>>[CH:1]1([N:5]2[CH2:6][CH:7]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([C:42]([NH:41][c:38]4[cH:37][cH:36][c:35]([C:34]([F:33])([F:44])[F:45])[cH:40][cH:39]4)=[O:43])[CH2:24][CH2:25]3)[N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2)[CH2:2][CH2:3][CH2:4]1