HRID134314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID2773552

4-Nitrophenylboronic acid

C6H6BNO4

反应SMILES：CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1ccccc1

HCID67343005

未命名化合物

反应SMILES：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

产物

反应SMILES：CC(C)(C)OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1NC(=O)c1ccccc1

HCID67342488

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-41b98e0f1993477d94f553a41b6b2edc
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:13](=[O:14])([O-:15])[OH:16].[C:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)(=[O:28])[NH:29][c:30]1[c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[cH:39][cH:40][c:41]([Br:43])[cH:42]1.[CH3:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH3:18][CH2:19][OH:20].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([B:10]([OH:11])[OH:12])[cH:8][cH:9]1.[Na+:17].[OH2:128].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[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)[cH:119][cH:120]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[c:41]2[cH:40][cH:39][c:31]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:30]([NH:29][C:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)=[O:28])[cH:42]2)[cH:8][cH:9]1