HRID1563507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1c(B2OC(C)(C)C(C)(C)O2)cccc1[N+](=O)[O-]

HCID57483800

未命名化合物

结构：COC(=O)c1cc(I)cn1S(=O)(=O)c1ccc(C)cc1

HCID59694429

Methyl 4-iodo-1-(4-methylbenzene-1-sulfonyl)-1H-pyrrole-2-carboxylate

C13H12INO4S

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：COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2OC)cn1S(=O)(=O)c1ccc(C)cc1

HCID59615690

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4b575e1ccd0470fa226a590f3866f48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[CH3:27][O:28][C:29](=[O:30])[c:31]1[n:32]([S:37](=[O:38])(=[O:39])[c:40]2[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]2)[cH:33][c:34]([I:36])[cH:35]1.[CH3:7][O:8][c:9]1[c:10]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[cH:11][cH:12][cH:13][c:14]1[N+:15](=[O:16])[O-:17].[K+:51].[K+:52].[OH2:130].[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>>[CH3:7][O:8][c:9]1[c:10](-[c:34]2[cH:33][n:32]([S:37](=[O:38])(=[O:39])[c:40]3[cH:41][cH:42][c:43]([CH3:46])[cH:44][cH:45]3)[c:31]([C:29]([O:28][CH3:27])=[O:30])[cH:35]2)[cH:11][cH:12][cH:13][c:14]1[N+:15](=[O:16])[O-:17]