HRID951057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

结构：CC1(C)OB(c2ccc(OCCN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)cc2)OC1(C)C

HCID86623735

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：N#Cc1ccc(N(CCOc2ccc(-c3nccs3)cc2)CC(F)(F)F)cc1C(F)(F)F

HCID11719767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a98d4376f9f8417c89f4c1e4d16c1410
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:37][c:38]1[s:39][cH:40][cH:41][n:42]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:129][CH2:130][OH:131].[CH3:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][N:18]([c:19]3[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]3)[CH2:31][C:32]([F:33])([F:34])[F:35])[cH:13][cH:14]2)[O:36]1.[N:49]#[N:50].[Na+:47].[Na+:48].[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:9]1(-[c:38]2[s:39][cH:40][cH:41][n:42]2)[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][N:18]([c:19]2[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]2)[CH2:31][C:32]([F:33])([F:34])[F:35])[cH:13][cH:14]1