HRID1205171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

结构：CCOC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID53217182

Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate

C18H25BO4

结构：Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)(C)C

HCID66577242

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：CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4NC(=O)OC(C)(C)C)cc3)cc2)CC1

HCID66577646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da1381bfe0a74305a6a0df839c57b227
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([CH3:20])[n:10][o:11][c:12]1-[c:13]1[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]1)=[O:21].[C:45](=[O:46])([OH:47])[O-:48].[CH2:22]([CH3:23])[O:24][C:25](=[O:26])[C:27]1([c:30]2[cH:31][cH:32][c:33]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:34][cH:35]2)[CH2:28][CH2:29]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:49].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([CH3:20])[n:10][o:11][c:12]1-[c:13]1[cH:14][cH:15][c:16](-[c:33]2[cH:32][cH:31][c:30]([C:27]3([C:25]([O:24][CH2:22][CH3:23])=[O:26])[CH2:28][CH2:29]3)[cH:35][cH:34]2)[cH:17][cH:18]1)=[O:21]