HRID1132271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(C(=O)NC2CC2)cc1B1OC(C)(C)C(C)(C)O1

HCID21914577

未命名化合物

HCID68455278

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：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCNC(=O)C3)nncc2c1

HCID11848245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0817d473b4943478075ac5dfdec0446
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]2[cH:5][n:6][n:7][c:8]([N:12]3[CH2:13][C:14](=[O:18])[NH:15][CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1.[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[CH3:53][CH2:54][OH:55].[CH:19]1([NH:22][C:23]([c:24]2[cH:25][c:26]([B:31]3[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]3)[c:27]([CH3:30])[cH:28][cH:29]2)=[O:40])[CH2:20][CH2:21]1.[K+:45].[K+: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:26]2[cH:25][c:24]([C:23]([NH:22][CH:19]3[CH2:20][CH2:21]3)=[O:40])[cH:29][cH:28][c:27]2[CH3:30])[cH:3][c:4]2[cH:5][n:6][n:7][c:8]([N:12]3[CH2:13][C:14](=[O:18])[NH:15][CH2:16][CH2:17]3)[c:9]2[cH:10][cH:11]1