HRID1570962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID9480

Benzenamine, 3,5-bis(trifluoromethyl)-

C8H5F6N

结构：COC(=O)C1(C2CCC2)CC(=O)N(c2c(C)cccc2C)C1

HCID58218822

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1cccc(C)c1N1CC(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C2CCC2)CC1=O

HCID51034008

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bdf459330527443193fb999091e48ccd
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

[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:21][O:22][C:23](=[O:24])[C:25]1([CH:39]2[CH2:40][CH2:41][CH2:42]2)[CH2:26][N:27]([c:31]2[c:32]([CH3:38])[cH:33][cH:34][cH:35][c:36]2[CH3:37])[C:28](=[O:30])[CH2:29]1.[Cl-:43].[F:6][C:7]([c:8]1[cH:9][c:10]([NH2:11])[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)([F:19])[F:20].[NH4+:44]>>[F:6][C:7]([c:8]1[cH:9][c:10]([NH:11][C:23](=[O:22])[C:25]2([CH:39]3[CH2:40][CH2:41][CH2:42]3)[CH2:26][N:27]([c:31]3[c:32]([CH3:38])[cH:33][cH:34][cH:35][c:36]3[CH3:37])[C:28](=[O:30])[CH2:29]2)[cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]1)([F:19])[F:20]