HRID1126475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID52911233

Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-carboxylate

C12H17BO4S

HCID58404858

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：COC(=O)c1cc(-c2cnc3cc(-c4ccccc4)cc(OC)n23)cs1

HCID58404681

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-843b1d5a87d04f2fbb8e8e0ff316b774
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

[C:37](=[O:38])([OH:39])[O-:40].[CH3:19][C:20]1([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25][B:26]([c:27]2[cH:28][c:29]([C:32](=[O:33])[O:34][CH3:35])[s:30][cH:31]2)[O:36]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[I:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[c:7]([O:17][CH3:18])[cH:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:10]2.[Na+:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:131].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([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)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([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)[cH:129][cH:130]1>>[c:2]1(-[c:27]2[cH:28][c:29]([C:32](=[O:33])[O:34][CH3:35])[s:30][cH:31]2)[cH:3][n:4][c:5]2[n:6]1[c:7]([O:17][CH3:18])[cH:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:10]2