HRID1123615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID14025440

N-(Prop-2-yn-1-yl)methanesulfonamide

C4H7NO2S

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

结构：COC(=O)COc1ccc(C2C(SCC(O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(I)cc2)cc1

HCID178501754

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(C2C(SCC(O[Si](C)(C)C(C)(C)C)c3ccc(F)cc3)C(=O)N2c2ccc(C#CCNS(C)(=O)=O)cc2)cc1

HCID178501753

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-641f00a7604c49f29bff7116c2610abb
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:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][S:9][CH:10]1[CH:11]([c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[N:12]([c:15]2[cH:16][cH:17][c:18]([I:21])[cH:19][cH:20]2)[C:13]1=[O:14])[c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)([CH3:41])[CH3:42].[CH2:43]([C:44]#[CH:45])[NH:46][S:47](=[O:48])(=[O:49])[CH3:50].[CH3:141][CH2:142][O:143][C:144]([CH3:145])=[O:146].[CH3:59][C:60]#[N:61].[ClH:57].[Cu:139][I:140].[K+:51].[K+:52].[O-:53][C:54]([O-:55])=[O:56].[OH2:58].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][S:9][CH:10]1[CH:11]([c:22]2[cH:23][cH:24][c:25]([O:26][CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[N:12]([c:15]2[cH:16][cH:17][c:18]([C:45]#[C:44][CH2:43][NH:46][S:47](=[O:48])(=[O:49])[CH3:50])[cH:19][cH:20]2)[C:13]1=[O:14])[c:34]1[cH:35][cH:36][c:37]([F:40])[cH:38][cH:39]1)([CH3:41])[CH3:42]