HRID1152232

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

CO3-2

HCID45496598

未命名化合物

结构：CC(C)(C)c1cc(-c2cncc(Br)c2)nc(-c2ccccn2)n1

HCID68773882

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：CN1CCN(Cc2ccc(-c3cncc(-c4cc(C(C)(C)C)nc(-c5ccccn5)n4)c3)cc2)CC1

HCID44197933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cef0bb0fe5c4bc390a14f3fcd344ded
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

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