HRID1546527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID14591193

tert-Butyl 3-(bromomethyl)benzoate

C12H15BrO2

结构：CC1=C(C(=O)C2CC2)C(c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

HCID59684850

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)C2CC2)C(c2ccc(C#N)cc2)N(Cc2cccc(C(=O)OC(C)(C)C)c2)C(=O)N1c1cccc(C(F)(F)F)c1

HCID59684777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5a00f85ff0f4a899f234d1ee08f636f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:34][CH2:35][c:36]1[cH:37][c:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47][cH:48]1.[CH3:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH:3]1([C:6](=[O:7])[C:8]2=[C:13]([CH3:14])[N:12]([c:15]3[cH:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]3)[C:11](=[O:25])[NH:10][CH:9]2[c:26]2[cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33]2)[CH2:4][CH2:5]1.[H-:1].[Na+:2].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[CH:3]1([C:6](=[O:7])[C:8]2=[C:13]([CH3:14])[N:12]([c:15]3[cH:16][c:17]([C:21]([F:22])([F:23])[F:24])[cH:18][cH:19][cH:20]3)[C:11](=[O:25])[N:10]([CH2:35][c:36]3[cH:37][c:38]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:46][cH:47][cH:48]3)[CH:9]2[c:26]2[cH:27][cH:28][c:29]([C:30]#[N:31])[cH:32][cH:33]2)[CH2:4][CH2:5]1