HRID687358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

反应SMILES：CCCS(=O)(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1F

HCID51034690

未命名化合物

反应SMILES：COC(=O)NC(C)CNc1nccc(-c2cn(C(C)C)nc2I)n1

HCID70313744

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：CCCS(=O)(=O)Nc1ccc(F)c(-c2nn(C(C)C)cc2-c2ccnc(NCC(C)NC(=O)OC)n2)c1F

HCID75601779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8a007065e5c94643ab5044047afcbc2b
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

[CH3:139][CH2:140][OH:141].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[F:1][c:2]1[c:3]([NH:18][S:19](=[O:20])(=[O:21])[CH2:22][CH2:23][CH3:24])[cH:4][cH:5][c:6]([F:17])[c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1.[I:25][c:26]1[n:27][n:28]([CH:46]([CH3:47])[CH3:48])[cH:29][c:30]1-[c:31]1[n:32][c:33]([NH:37][CH2:38][CH:39]([CH3:40])[NH:41][C:42]([O:43][CH3:44])=[O:45])[n:34][cH:35][cH:36]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[F:1][c:2]1[c:3]([NH:18][S:19](=[O:20])(=[O:21])[CH2:22][CH2:23][CH3:24])[cH:4][cH:5][c:6]([F:17])[c:7]1-[c:26]1[n:27][n:28]([CH:46]([CH3:47])[CH3:48])[cH:29][c:30]1-[c:31]1[n:32][c:33]([NH:37][CH2:38][CH:39]([CH3:40])[NH:41][C:42]([O:43][CH3:44])=[O:45])[n:34][cH:35][cH:36]1