HRID2125234

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(Br)c4c(N)ncnn34)cc2)CC1

HCID58529297

未命名化合物

结构：CC1(C)OB(c2ccc3cn(Cc4ccccc4)nc3c2)OC1(C)C

HCID58529313

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：CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(-c4ccc5cn(Cc6ccccc6)nc5c4)c4c(N)ncnn34)cc2)CC1

HCID58529864

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e56391bd3ca0459598f89bc7026621a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:56](=[O:57])([O-:58])[O-:59].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[n:38]1[n:39][c:40]2[cH:41][c:42]([B:47]3[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]3)[cH:43][cH:44][c:45]2[cH:46]1.[CH3:62][O:63][CH2:64][CH2:65][O:66][CH3:67].[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8]([Br:30])[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1.[Na+:60].[Na+:61].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([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)[P:112]([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)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[NH2:1][c:2]1[n:3][cH:4][n:5][n:6]2[c:7]1[c:8](-[c:42]1[cH:41][c:40]3[n:39][n:38]([CH2:31][c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[cH:46][c:45]3[cH:44][cH:43]1)[cH:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([N:17]2[CH2:18][CH2:19][N:20]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:21][CH2:22]2)[cH:15][cH:16]1