HRID1231689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：CCC(OC(=O)c1ccc([N+](=O)[O-])cc1)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(Cl)nc3c2)nn1)C(F)(F)F

HCID86621983

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(c1cn(Cc2ccc3c(-c4ccc(F)cc4)cc(Cl)nc3c2)nn1)C(F)(F)F

HCID25055312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33cd28fb054249da9ad74df44a39d040
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

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