HRID1117389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：Nc1nc(Cl)c2nnn(Cc3cccc([N+](=O)[O-])c3)c2n1

HCID21874590

未命名化合物

HCID21874652

(1-{[2-(Trimethylsilyl)ethoxy]methyl}-1H-pyrazol-5-yl)boronic acid

C9H19BN2O3Si

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：C[Si](C)(C)CCOCn1nccc1-c1nc(N)nc2c1nnn2Cc1cccc([N+](=O)[O-])c1

HCID21874781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14151b1008e1449ba95b10cc163b72b8
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

[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[CH3:22][Si:23]([CH2:24][CH2:25][O:26][CH2:27][n:28]1[n:29][cH:30][cH:31][c:32]1[B:33]([OH:34])[OH:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH2:8])[n:7]1)[n:9]([CH2:12][c:13]1[cH:14][c:15]([N+:19](=[O:20])[O-:21])[cH:16][cH:17][cH:18]1)[n:10][n:11]2.[Na+:42].[O-:38][C:39]([OH:40])=[O:41].[OH2:48].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([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)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([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)[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)[cH:124][cH:125]1>>[c:2]1(-[c:32]2[n:28]([CH2:27][O:26][CH2:25][CH2:24][Si:23]([CH3:22])([CH3:36])[CH3:37])[n:29][cH:30][cH:31]2)[c:3]2[c:4]([n:5][c:6]([NH2:8])[n:7]1)[n:9]([CH2:12][c:13]1[cH:14][c:15]([N+:19](=[O:20])[O-:21])[cH:16][cH:17][cH:18]1)[n:10][n:11]2