HRID174789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate Ion

CO3-2

HCID2773535

{3-[(Methanesulfonyl)amino]phenyl}boronic acid

C7H10BNO4S

HCID24905337

3-Iodo-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

C8H10IN5

HCID178420554

未命名化合物

PRODUCTS

产物

HCID24905159

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-51340cd035024891b820052bba16a971
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([B:12]([OH:13])[OH:14])[cH:9][cH:10][cH:11]1.[CH3:35][CH2:36][OH:37].[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[I:15][c:16]1[n:17][n:18]([CH:26]([CH3:27])[CH3:28])[c:19]2[n:20][cH:21][n:22][c:23]([NH2:25])[c:24]12.[Na+:33].[Na+:34].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)[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)[cH:119][cH:120]1>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8](-[c:16]2[n:17][n:18]([CH:26]([CH3:27])[CH3:28])[c:19]3[n:20][cH:21][n:22][c:23]([NH2:25])[c:24]23)[cH:9][cH:10][cH:11]1