HRID699692

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2783396

2-Fluoropyridine-4-boronic acid

C5H5BFNO2

反应SMILES：CC(C)(C)OC(=O)N(c1cc(Cl)nc2c(C=O)cnn12)C1CC1

HCID58196421

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)N(c1cc(-c2ccnc(F)c2)nc2c(C=O)cnn12)C1CC1

HCID58314259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ba4dcaef1d3442969531d25cf7a97566
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:34](=[O:35])([O-:36])[O-:37].[CH3:117][O:118][CH2:119][CH2:120][O:121][CH3:122].[CH3:123][CH2:124][OH:125].[Cl:1][c:2]1[n:3][c:4]2[n:5]([c:6]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH:16]3[CH2:17][CH2:18]3)[cH:7]1)[n:19][cH:20][c:21]2[CH:22]=[O:23].[F:24][c:25]1[n:26][cH:27][cH:28][c:29]([B:31]([OH:32])[OH:33])[cH:30]1.[Na+:38].[Na+:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:29]2[cH:28][cH:27][n:26][c:25]([F:24])[cH:30]2)[n:3][c:4]2[n:5]([c:6]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH:16]3[CH2:17][CH2:18]3)[cH:7]1)[n:19][cH:20][c:21]2[CH:22]=[O:23]