HRID2318229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(=O)N1c2ccc(N)cc2C(C)(c2ccccc2)CC1(C)C

HCID2837084

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C(C)(c2ccccc2)CC1(C)C

HCID11190814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbc5eee63fc34cd3adaf467572206f14
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:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]21.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[F:24][C:25]([c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[Cl:32])[cH:33][cH:34]1)([F:35])[F:36].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH:14][C:30]([c:29]3[cH:28][cH:27][c:26]([C:25]([F:24])([F:35])[F:36])[cH:34][cH:33]3)=[O:31])[cH:11][cH:12][c:13]21