HRID669095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID2734354

(2-Fluorophenyl)boronato(2-)

C6H6BFO2

HCID5360545

Sodium

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(-c2ccccc2F)cc1NC(=O)c1ccccc1

HCID67343885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d4b714a3570c494e8351b3226d93a54c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:12](=[O:13])([O-:14])[OH:15].[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)(=[O:23])[NH:24][c:25]1[c:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[cH:34][cH:35][c:36]([Br:38])[cH:37]1.[C:39](=[O:40])([O-:41])[OH:42].[CH3:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[CH3:128][CH2:129][OH:130].[F:1][c:2]1[c:3]([B:8]([OH:9])[OH:10])[cH:4][cH:5][cH:6][cH:7]1.[Na+:43].[Na:11].[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>>[F:1][c:2]1[c:3](-[c:36]2[cH:35][cH:34][c:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[c:25]([NH:24][C:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)=[O:23])[cH:37]2)[cH:4][cH:5][cH:6][cH:7]1