HRID1239105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID82604

Nicotinoyl chloride

C6H4ClNO

结构：O=C(C1=COc2cc(O)ccc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID9804471

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1ccc2c(c1)OC=C(C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)O2)c1cccnc1

HCID11039071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4b56b6a05a34327b44f56812f5b52b3
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

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