HRID958291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID3723812

4-(Methoxymethyl)phenylboronic acid

C8H11BO3

结构：Cc1nn(C)cc1S(=O)(=O)N(C)CCN1CCN(c2nccnc2Cl)CC1

HCID86640205

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

HCID313

Hydrochloric Acid

ClH

结构：COCc1ccc(-c2nccnc2N2CCN(CCN(C)S(=O)(=O)c3cn(C)nc3C)CC2)cc1

HCID59252223

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cb30b83c1924f63ba5befad1210a6f9
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

[C:40](=[O:41])([O-:42])[O-:43].[CH3:28][O:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[CH3:46][C:47](=[O:48])[CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:1][c:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]3[c:21]([CH3:26])[n:22][n:23]([CH3:25])[cH:24]3)[CH3:27])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1.[K+:44].[K+:45].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[ClH:1].[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([CH2:30][O:29][CH3:28])[cH:36][cH:35]2)[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][N:16]([S:17](=[O:18])(=[O:19])[c:20]3[c:21]([CH3:26])[n:22][n:23]([CH3:25])[cH:24]3)[CH3:27])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][n:7]1