HRID2340205

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID520769

2-(Trifluoromethyl)oxirane

C3H3F3O

结构：c1ccc(Oc2cccc(NCc3cccc(C4CCCO4)c3)c2)cc1

HCID23506095

未命名化合物

PRODUCTS

生成物

结构：OC(CN(Cc1cccc(C2CCCO2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F

HCID23506048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b18ab7855a5487f8719a35545dfdc0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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