HRID2327414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID8857

Ethyl acetate

C4H8O2

HCID10795

1,1-Dimethoxyethane

C4H10O2

HCID19660

Carbonate

CO3-2

HCID2734378

Pyridine-3-boronic acid

C5H6BNO2

结构：O=C1C(Cc2c(Cl)cc(OS(=O)(=O)C(F)(F)F)cc2Cl)CCN1C1CCC(F)(F)CC1

HCID57878605

未命名化合物

结构：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

生成物

结构：O=C1C(Cc2c(Cl)cc(-c3cccnc3)cc2Cl)CCN1C1CCC(F)(F)CC1

HCID57878596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7a2d14c7afc4be58a2c828f4bded17b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:41](=[O:42])([O-:43])[O-:44].[CH3:47][O:48][CH:49]([O:50][CH3:51])[CH3:52].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[Cl:1][c:2]1[cH:3][c:4]([O:24][S:25]([C:26]([F:27])([F:28])[F:29])(=[O:30])=[O:31])[cH:5][c:6]([Cl:23])[c:7]1[CH2:8][CH:9]1[C:10](=[O:22])[N:11]([CH:14]2[CH2:15][CH2:16][C:17]([F:20])([F:21])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1.[Na+:45].[Na+:46].[Na+:57].[O-:53][C:54]([OH:55])=[O:56].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1.[n:32]1[cH:33][c:34]([B:38]([OH:39])[OH:40])[cH:35][cH:36][cH:37]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:34]2[cH:33][n:32][cH:37][cH:36][cH:35]2)[cH:5][c:6]([Cl:23])[c:7]1[CH2:8][CH:9]1[C:10](=[O:22])[N:11]([CH:14]2[CH2:15][CH2:16][C:17]([F:20])([F:21])[CH2:18][CH2:19]2)[CH2:12][CH2:13]1