HRID834578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7812

4-Chloroaniline

C6H6ClN

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID18450

2-Chloro-4,6-dimethoxy-1,3,5-triazine

C5H6ClN3O2

HCID410615

2-methylmorpholine

C5H11NO

结构：O=C(O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID45487370

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID16035003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44adc1f52a734f97a59801865246a1c8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:39][CH:40]1[CH2:41][NH:42][CH2:43][CH2:44][O:45]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl:1][c:2]1[n:3][c:4]([O:5][CH3:6])[n:7][c:8]([O:9][CH3:10])[n:11]1.[F:12][C:13]([c:14]1[c:15]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][cH:26][c:27]([C:30](=[O:31])[OH:32])[n:28][n:29]3)[CH2:22][CH2:23]2)[cH:33][cH:34][cH:35][cH:36]1)([F:37])[F:38].[NH2:46][c:47]1[cH:48][cH:49][c:50]([Cl:51])[cH:52][cH:53]1>>[F:12][C:13]([c:14]1[c:15]([C:16](=[O:17])[N:18]2[CH2:19][CH2:20][N:21]([c:24]3[cH:25][cH:26][c:27]([C:30](=[O:32])[NH:46][c:47]4[cH:48][cH:49][c:50]([Cl:51])[cH:52][cH:53]4)[n:28][n:29]3)[CH2:22][CH2:23]2)[cH:33][cH:34][cH:35][cH:36]1)([F:37])[F:38]