HRID137585

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)NC1(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CCC1

HCID58326444

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

C21H32BNO4

结构：O=c1c(I)c(-c2ccccc2)oc2c1ccc1cn[nH]c12

HCID67067772

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)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccc5cn[nH]c54)c3=O)cc2)CCC1

HCID67067899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15aeee2b85a947d29369dcb7ace93796
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27]([NH:28][C:29]1([c:33]2[cH:34][cH:35][c:36]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[cH:37][cH:38]2)[CH2:30][CH2:31][CH2:32]1)=[O:48].[CH3:132][O:133][CH2:134][CH2:135][O:136][CH3:137].[I:1][c:2]1[c:3](=[O:21])[c:4]2[cH:5][cH:6][c:7]3[c:8]([c:9]2[o:10][c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[nH:18][n:19][cH:20]3.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([C:29]3([NH:28][C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:48])[CH2:30][CH2:31][CH2:32]3)[cH:38][cH:37]2)[c:3](=[O:21])[c:4]2[cH:5][cH:6][c:7]3[c:8]([c:9]2[o:10][c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[nH:18][n:19][cH:20]3