HRID2338350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：O=C(c1ccc2c(c1)OCCO2)N1C2C=C(OS(=O)(=O)C(F)(F)F)CC1CC2

HCID86664776

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=C(c1ccc2c(c1)OCCO2)N1C2C=C(c3ccccc3)CC1CC2

HCID67175440

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fa24d9c44d042529f9375c2d6b2cdaf
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:1](=[O:2])([O-:3])[O-:4].[CH3:123][O:124][CH2:125][CH2:126][O:127][CH3:128].[Cl-:45].[Li+:44].[Na+:5].[Na+:6].[O:7]1[CH2:8][CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([C:17](=[O:18])[N:19]1[CH:20]3[CH:21]=[C:22]([O:27][S:28]([C:29]([F:30])([F:31])[F:32])(=[O:33])=[O:34])[CH2:23][CH:24]1[CH2:25][CH2:26]3)[cH:16]2.[OH2:129].[OH:35][B:36]([OH:37])[c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([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)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[O:7]1[CH2:8][CH2:9][O:10][c:11]2[c:12]1[cH:13][cH:14][c:15]([C:17](=[O:18])[N:19]1[CH:20]3[CH:21]=[C:22]([c:38]4[cH:39][cH:40][cH:41][cH:42][cH:43]4)[CH2:23][CH:24]1[CH2:25][CH2:26]3)[cH:16]2