HRID289747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID31404

Butylated hydroxytoluene

C15H24O

HCID21904640

未命名化合物

HCID53438229

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

HCID21904637

1-Bromo-3-(difluoromethoxy)-5-ethenylbenzene

C9H7BrF2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef9e6587a1f425b9739a4575e4e06be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:16][c:17]1[cH:18][c:19]([Br:27])[cH:20][c:21]([O:23][CH:24]([F:25])[F:26])[cH:22]1.[CH2:1]([CH2:2][CH2:14][CH3:15])[C:3]([Sn:4])=[C:5]([CH2:6][CH2:7][CH2:8][CH3:9])[CH2:10][CH2:11][CH2:12][CH3:13].[CH3:28][c:29]1[cH:30][c:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:36]([OH:37])[c:38]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:43]1.[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Na+:45].[OH-:44].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[CH:1](=[CH2:2])[c:17]1[cH:18][c:19]([Br:27])[cH:20][c:21]([O:23][CH:24]([F:25])[F:26])[cH:22]1