HRID1131191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

HCID10847607

3-chloro-2-iodopyridine

C5H3ClIN

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC(O)CC2CO)cc1I

HCID87304382

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

HCID178461726

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(N2CC(O)CC2CO)cc1-c1ncccc1Cl

HCID178485673

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f14f828a50004dcab9011c0cb00209e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:10]([Mg+:11])([CH3:12])[CH3:13].[Cl-:57].[Cl-:59].[Cl-:9].[Cl:1][c:2]1[c:3]([I:8])[n:4][cH:5][cH:6][cH:7]1.[F:14][C:15]([c:16]1[cH:17][c:18]([C:26]([C:27](=[O:28])[N:29]([CH3:30])[c:31]2[cH:32][n:33][c:34]([N:38]3[CH:39]([CH2:44][OH:45])[CH2:40][CH:41]([OH:43])[CH2:42]3)[cH:35][c:36]2[I:37])([CH3:46])[CH3:47])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]1)([F:48])[F:49].[Na+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:50].[Zn+2:58].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[Cl:1][c:2]1[c:3](-[c:36]2[c:31]([N:29]([C:27]([C:26]([c:18]3[cH:17][c:16]([C:15]([F:14])([F:48])[F:49])[cH:21][c:20]([C:22]([F:23])([F:24])[F:25])[cH:19]3)([CH3:46])[CH3:47])=[O:28])[CH3:30])[cH:32][n:33][c:34]([N:38]3[CH:39]([CH2:44][OH:45])[CH2:40][CH:41]([OH:43])[CH2:42]3)[cH:35]2)[n:4][cH:5][cH:6][cH:7]1