HRID118280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID3268011

tert-Butyl (2-aminocyclohexyl)carbamate

C11H22N2O2

结构：COC(=O)c1c(C#N)cc(Cl)nc1Nc1ccc(F)c(C)c1

HCID58317541

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(C#N)cc(NC2CCCCC2NC(=O)OC(C)(C)C)nc1Nc1ccc(F)c(C)c1

HCID77252975

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b186e4d488ea4fe7a17af4b1e617870c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([CH3:22])[c:18]([F:21])[cH:19][cH:20]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1.[NH2:30][CH:31]1[CH:32]([NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:33][CH2:34][CH2:35][CH2:36]1.[OH2:45]>>[c:2]1([NH:30][CH:31]2[CH:32]([NH:37][C:38]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH2:33][CH2:34][CH2:35][CH2:36]2)[n:3][c:4]([NH:14][c:15]2[cH:16][c:17]([CH3:22])[c:18]([F:21])[cH:19][cH:20]2)[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([C:12]#[N:13])[cH:11]1