HRID87704

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID69140

4-Chloroquinoline

C9H6ClN

结构：CN1CCC(c2c[nH]c3ccc(OS(=O)(=O)C(F)(F)F)nc23)CC1

HCID12041812

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

PRODUCTS

生成物

结构：CN1CCC(c2c[nH]c3ccc(-c4ccnc5ccccc45)nc23)CC1

HCID9862884

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bb5f67fca1142db90d90b8eb8e9c23b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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