HRID176857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID10476

Cyanogen bromide

CBrN

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCCC2NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID72297304

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCCC2N(C#N)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID72297396

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7a6385addf6f41eca6ba981ed6ba0c5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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