HRID1148822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID177

Acetaldehyde

C2H4O

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：CC1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(OC(F)(F)F)ccc1N

HCID76626792

未命名化合物

PRODUCTS

生成物

结构：CCNc1ccc(OC(F)(F)F)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID74348075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ab80f5bf9ea443ff8696e0f9d365dbab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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