HRID138402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6214

Hexachloroethane

C2Cl6

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID68983

Trimethyl phosphine

C3H9P

HCID10560711

TERT-BUTYL 3-FLUORO-4-OXOPIPERIDINE-1-CARBOXYLATE

C10H16FNO3

结构：Nc1nc2c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cccn2n1

HCID86656724

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2nc3c(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cccn3n2)C(F)C1

HCID86656723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e04b2aae0594cc09a1e5203628bb6df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][P:41]([CH3:42])[CH3:43].[CH3:69][OH:70].[Cl:25][C:26]([C:27]([Cl:28])([Cl:29])[Cl:30])([Cl:31])[Cl:32].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:13]2[c:14]3[n:15]([cH:16][cH:17][cH:18]2)[n:19][c:20]([NH2:22])[n:21]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:23])[F:24].[F:44][CH:45]1[CH2:46][N:47]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:48][CH2:49][C:50]1=[O:51].[Na+:63].[O-:59][C:60]([OH:61])=[O:62]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:13]2[c:14]3[n:15]([cH:16][cH:17][cH:18]2)[n:19][c:20]([NH:22][CH:50]2[CH:45]([F:44])[CH2:46][N:47]([C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58])[CH2:48][CH2:49]2)[n:21]3)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:23])[F:24]