HRID950234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7672

Phenyl isocyanate

C7H5NO

HCID737176

3-(Trifluoromethoxy)benzyl bromide

C8H6BrF3O

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCNCC1

HCID18426164

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1

HCID18426254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-000e424f1730422fa7db05aba38e51b6
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:47][C:48]#[N:49].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)[cH:20][cH:21][cH:22]1)([F:23])[F:24].[F:25][C:26]([O:27][c:28]1[cH:29][c:30]([CH2:31][Br:32])[cH:33][cH:34][cH:35]1)([F:36])[F:37].[O:38]=[C:39]=[N:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][CH2:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:31][c:30]3[cH:29][c:28]([O:27][C:26]([F:25])([F:36])[F:37])[cH:35][cH:34][cH:33]3)[CH2:18][CH2:19]2)[cH:20][cH:21][cH:22]1)([F:23])[F:24]