HRID1206876

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

结构：Cc1cc(OCC(=O)O)ccc1B1OC(C)(C)C(C)(C)O1

HCID23090764

未命名化合物

结构：Cc1cc(Br)cc(C)c1OCCNC(C)C(O)c1ccc(O)cc1

HCID23090805

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCC(=O)O)ccc1-c1cc(C)c(OCCNC(C)C(O)c2ccc(O)cc2)c(C)c1

HCID178429103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ceaf257a144797b6643d01cc4090b3
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

[Br:1][c:2]1[cH:3][c:4]([CH3:24])[c:5]([O:6][CH2:7][CH2:8][NH:9][CH:10]([CH:11]([OH:12])[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]2)[CH3:20])[c:21]([CH3:23])[cH:22]1.[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:137][CH2:138][OH:139].[CH3:25][c:26]1[cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[OH:33])[cH:34][cH:35][c:36]1[B:37]1[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]1.[Cs+:47].[F-:46].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[OH2:136].[Pd:59].[c:117]1([P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132][cH:133][cH:134][cH:135]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:36]2[c:26]([CH3:25])[cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[OH:33])[cH:34][cH:35]2)[cH:3][c:4]([CH3:24])[c:5]([O:6][CH2:7][CH2:8][NH:9][CH:10]([CH:11]([OH:12])[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]2)[CH3:20])[c:21]([CH3:23])[cH:22]1