HRID2343363

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

结构：Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1Br

HCID57505455

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)ccc1Br)c1cccc(C(F)(F)F)c1

HCID57505454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7400076e07dd40fb9b9873b246a2c0df
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

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