HRID2318853

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID10906

tert-Butyl nitrite

C4H9NO2

结构：COC(=O)N(Cc1cc(N)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11699642

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N(Cc1cc(Cl)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1-c1cc(C(C)C)ccc1OC

HCID11635554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33d4ba442d8343ee86f861bd34336865
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

[CH3:48][C:49]#[N:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH3:8][O:9][C:10]([N:11]([CH2:12][c:13]1[c:14](-[c:23]2[c:24]([O:32][CH3:33])[cH:25][cH:26][c:27]([CH:29]([CH3:30])[CH3:31])[cH:28]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)[CH2:34][c:35]1[cH:36][c:37]([NH2:45])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)=[O:46].[ClH:47].[N:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])=[O:7]>>[CH3:8][O:9][C:10]([N:11]([CH2:12][c:13]1[c:14](-[c:23]2[c:24]([O:32][CH3:33])[cH:25][cH:26][c:27]([CH:29]([CH3:30])[CH3:31])[cH:28]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)[CH2:34][c:35]1[cH:36][c:37]([Cl:47])[cH:38][c:39]([C:41]([F:42])([F:43])[F:44])[cH:40]1)=[O:46]