HRID1209206

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID82604

Nicotinoyl chloride

C6H4ClNO

结构：O=C(C1=COc2ccc(O)cc2O1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID10994231

未命名化合物

PRODUCTS

生成物

结构：O=C(Oc1ccc2c(c1)OC(C(=O)N1CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC1)=CO2)c1cccnc1

HCID19392473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99216373a03846a1ba661d1bdb590ca8
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].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[O:7][C:8]([C:11](=[O:12])[N:13]1[CH2:14][CH2:15][N:16]([CH:19]([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH2:17][CH2:18]1)=[CH:9][O:10]2>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:34]1)[O:7][C:8]([C:11](=[O:12])[N:13]1[CH2:14][CH2:15][N:16]([CH:19]([c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[c:27]3[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]3)[CH2:17][CH2:18]1)=[CH:9][O:10]2)[C:35]([c:36]1[cH:37][n:38][cH:39][cH:40][cH:41]1)=[O:42]