HRID678901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8028

Tetrahydrofuran

C4H8O

HCID45489892

tert-Butyl 4-(bromomethylidene)piperidine-1-carboxylate

C11H18BrNO2

结构：Cc1cc(Oc2ccc(C(F)(F)F)cn2)cc(B(O)O)c1

HCID66876239

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C=C2CCN(C(=O)OC(C)(C)C)CC2)cc(Oc2ccc(C(F)(F)F)cn2)c1

HCID66876309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23ea329c712e48dc8638e7f3d259d577
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:22][CH:23]=[C:24]1[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][c:2]1[cH:3][c:4]([B:19]([OH:20])[OH:21])[cH:5][c:6]([O:8][c:9]2[n:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:7]1.[K+:42].[K+:43].[K+:44].[P:37]([O-:38])([O-:39])([O-:40])=[O:41]>>[CH3:1][c:2]1[cH:3][c:4]([CH:23]=[C:24]2[CH2:25][CH2:26][N:27]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:28][CH2:29]2)[cH:5][c:6]([O:8][c:9]2[n:10][cH:11][c:12]([C:15]([F:16])([F:17])[F:18])[cH:13][cH:14]2)[cH:7]1