HRID150470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID3836732

2-(Piperidin-4-yloxy)pyrimidine

C9H13N3O

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)Cl)c3)n2)n1

HCID86615450

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)N4CCC(Oc5ncccn5)CC4)c3)n2)n1

HCID68694916

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc845d2309504a54a3d9756dbf419df9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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