HRID1206537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID4769299

未命名化合物

结构：OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(OC(F)(F)F)cc1)C1CCNCC1

HCID19040926

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)N2CCC(C(O)(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1Cl

HCID19040922

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-400b4d9868da4f948e84f3385beda8a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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