HRID683419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID53438229

未命名化合物

HCID57617105

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：C=Cc1cc2c(=O)cc(-c3ccccc3)[nH]c2cc1OC

HCID57617126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61f08acfd30c40faafb0e98df05adc73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5](=[O:20])[cH:6][c:7](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[nH:8][c:9]2[cH:10][c:11]1[O:12][CH3:13].[CH2:21]([CH2:22][CH2:34][CH3:35])[C:23]([Sn:24])=[C:25]([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH2:31][CH2:32][CH3:33].[CH3:36][S:37]([CH3:38])=[O:39].[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:2]1([CH:21]=[CH2:22])[cH:3][c:4]2[c:5](=[O:20])[cH:6][c:7](-[c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[nH:8][c:9]2[cH:10][c:11]1[O:12][CH3:13]