HRID2314730

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

反应SMILES：COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NC(=O)OC(C)(C)C

HCID17750221

tert-Butyl [2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

C18H28BNO5

反应SMILES：Nc1ncnc2c1c(I)nn2-c1ccc([N+](=O)[O-])cc1

HCID22346908

未命名化合物

反应SMILES：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

产物

反应SMILES：COc1cc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

HCID22347042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-06a89c62f3f2475a8ed6439fb85a54bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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