HRID935344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)c1cc2ccccc2n1C

HCID22347095

未命名化合物

HCID22347332

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：COc1cc(-c2nn(C3CCNC3)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

HCID22346925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5aa9a39b86064403b7dc72feecc007db
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

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