HRID804421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2756555

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C11H17BN2O2

反应SMILES：CC(C)(C)OC(=O)N1CC=C(OS(=O)(=O)C(F)(F)F)C1

HCID59648037

tert-Butyl 3-[(trifluoromethanesulfonyl)oxy]-2,5-dihydro-1H-pyrrole-1-carboxylate

C10H14F3NO5S

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)N1CC=C(c2ccc(N)nc2)C1

HCID66742367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f09d5a11af0e42bea5c0635bc36584a1
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])=[CH:11][CH2:12]1.[C:21](=[O:22])([O-:23])[O-:24].[CH2:126]1[O:127][CH2:128][CH2:129][CH2:130]1.[CH3:27][C:28]1([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33][B:34]([c:35]2[cH:36][cH:37][c:38]([NH2:41])[n:39][cH:40]2)[O:42]1.[K+:25].[K+:26].[Na+:47].[O-:43][C:44]([OH:45])=[O:46].[OH2:125].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([c:35]2[cH:36][cH:37][c:38]([NH2:41])[n:39][cH:40]2)=[CH:11][CH2:12]1