HRID825765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID21886241

2-Bromo-3-methyl-5-nitroaniline

C7H7BrN2O2

结构：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(B(O)O)c1

HCID140043492

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：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cc([N+](=O)[O-])cc2N)c1

HCID145857628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96fe2bd2eb1f4f378ba516b23b181ca6
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:30][c:31]1[c:32]([NH2:41])[cH:33][c:34]([N+:38](=[O:39])[O-:40])[cH:35][c:36]1[CH3:37].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:27][CH3:28])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20]([B:24]([OH:25])[OH:26])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:29].[C:42](=[O:43])([O-:44])[O-:45].[CH3:129][CH2:130][O:131][C:132]([CH3:133])=[O:134].[CH3:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[CH3:48][CH2:49][OH:50].[Na+:46].[Na+:47].[OH2:128].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8](=[NH:9])[c:10]1[s:11][c:12]([S:27][CH3:28])[c:13]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][c:20](-[c:31]3[c:32]([NH2:41])[cH:33][c:34]([N+:38](=[O:39])[O-:40])[cH:35][c:36]3[CH3:37])[cH:21][cH:22][cH:23]2)[cH:14]1)=[O:29]