HRID2348328

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID9480

Benzenamine, 3,5-bis(trifluoromethyl)-

C8H5F6N

结构：COC(=O)C1(COCc2ccccc2)CC(=O)N(c2c(C)cccc2C)C1

HCID58218768

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1cccc(C)c1N1CC(COCc2ccccc2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1=O

HCID51034681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6af21f05242402e95d190cdbbcc2bd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:48]([OH:49])(=[O:50])[CH3:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:21][O:22][C:23](=[O:24])[C:25]1([CH2:39][O:40][CH2:41][c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]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.[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]>>[F:6][C:7]([c:8]1[cH:9][c:10]([NH:11][C:23](=[O:22])[C:25]2([CH2:39][O:40][CH2:41][c:42]3[cH:43][cH:44][cH:45][cH:46][cH:47]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]