HRID2144954

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8470

Trimethyl borate

C3H9BO3

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Butyllithium

C4H9Li

PRODUCTS

产物

反应SMILES：CSc1sc(C(=N)NC(=O)OC(C)(C)C)cc1S(=O)(=O)c1cccc(-c2c(C)cccc2CO)c1

HCID145857676

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b6487192701e450693e6b628d352a3b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34]([NH:35][C:36](=[NH:37])[c:38]1[s:39][c:40]([S:53][CH3:54])[c:41]([S:43](=[O:44])(=[O:45])[c:46]2[cH:47][c:48]([Br:52])[cH:49][cH:50][cH:51]2)[cH:42]1)=[O:55].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:133][CH2:134][O:135][C:136](=[O:137])[CH3:138].[CH3:16][O:17][B:18]([O:19][CH3:20])[O:21][CH3:22].[I:6][c:7]1[c:8]([CH2:14][OH:15])[cH:9][cH:10][cH:11][c:12]1[CH3:13].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[Pd:56].[c:114]1([P:115]([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129][cH:130][cH:131][cH:132]1.[c:57]1([P:58]([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)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([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)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([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)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[c:7]1(-[c:48]2[cH:47][c:46]([S:43]([c:41]3[c:40]([S:53][CH3:54])[s:39][c:38]([C:36]([NH:35][C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:55])=[NH:37])[cH:42]3)(=[O:44])=[O:45])[cH:51][cH:50][cH:49]2)[c:8]([CH2:14][OH:15])[cH:9][cH:10][cH:11][c:12]1[CH3:13]

反应方程式

反应物

Sodium ion

Trimethyl borate

Ethyl acetate

Triphenylphosphine

Carbonate

Palladium

未命名化合物

未命名化合物

Butyllithium

产物

未命名化合物