HRID2152407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

结构：CC1(C)OB(C=Cc2ccc(CCN3CCOCC3)cc2)OC1(C)C

HCID66734103

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

结构：COc1ccc2c(c1)C1(CC1c1ccc3c(I)n[nH]c3c1)C(=O)N2

HCID178487024

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)C1(CC1c1ccc3c(C=Cc4ccc(CCN5CCOCC5)cc4)n[nH]c3c1)C(=O)N2

HCID123956500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d57ede3e35c418a8427da9c578eccc4
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:50](=[O:51])([O-:52])[O-:53].[CH3:25][C:26]1([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31][B:32]([CH:33]=[CH:34][c:35]2[cH:36][cH:37][c:38]([CH2:39][CH2:40][N:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)[cH:47][cH:48]2)[O:49]1.[I:1][c:2]1[n:3][nH:4][c:5]2[cH:6][c:7]([CH:11]3[C:12]4([CH2:13]3)[C:14](=[O:24])[NH:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]34)[cH:8][cH:9][c:10]12.[Na+:54].[Na+:55].[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([CH:33]=[CH:34][c:35]2[cH:36][cH:37][c:38]([CH2:39][CH2:40][N:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)[cH:47][cH:48]2)[n:3][nH:4][c:5]2[cH:6][c:7]([CH:11]3[C:12]4([CH2:13]3)[C:14](=[O:24])[NH:15][c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]34)[cH:8][cH:9][c:10]12