HRID1206761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

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

反应SMILES：CC(C)[Si](OC1CCC(N2CCC(Cc3c(Cl)cc(OS(=O)(=O)C(F)(F)F)cc3Cl)C2=O)CC1)(C(C)C)C(C)C

HCID178460970

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1ccc(-c2cc(Cl)c(CC3CCN(C4CCC(O[Si](C(C)C)(C(C)C)C(C)C)CC4)C3=O)c(Cl)c2)cc1

HCID178497509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5aec3d023f4c487f91ee4fd2f563ed0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[CH3:41][O:42][C:43](=[O:44])[c:45]1[cH:46][cH:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cl:1][c:2]1[cH:3][c:4]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[cH:5][c:6]([Cl:32])[c:7]1[CH2:8][CH:9]1[C:10](=[O:31])[N:11]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][Si:21]([CH:22]([CH3:23])[CH3:24])([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1.[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH2:65].[cH:72]1[cH:73][cH:74][c:75]([P:76]([Pd:77]([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)([c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[c:141]2[cH:142][cH:143][cH:144][cH:145][cH:146]2)[cH:147][cH:148]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:48]2[cH:47][cH:46][c:45]([C:43]([O:42][CH3:41])=[O:44])[cH:50][cH:49]2)[cH:5][c:6]([Cl:32])[c:7]1[CH2:8][CH:9]1[C:10](=[O:31])[N:11]([CH:14]2[CH2:15][CH2:16][CH:17]([O:20][Si:21]([CH:22]([CH3:23])[CH3:24])([CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1