HRID2332427

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID104967

Cesium(1+)

Cs+

HCID2773478

[3-(Propan-2-yl)phenyl]boronic acid

C9H13BO2

结构：COC(=O)C1(NC(=O)c2ccc(OC)c(-c3cccc(C(C)C)c3)c2)Cc2ccccc2C1

HCID67076699

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：COc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)cc1-c1cccc(C(C)C)c1

HCID44478775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e3c980faecc44b88cd388ce5047a1b8
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

[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH3:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[CH3:15][O:16][C:17](=[O:18])[C:19]1([NH:28][C:29](=[O:30])[c:31]2[cH:32][c:33](-[c:39]3[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[cH:42][cH:43][cH:44]3)[c:34]([O:37][CH3:38])[cH:35][cH:36]2)[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[CH2:27]1.[CH:1]([c:2]1[cH:3][c:4]([B:5]([OH:6])[OH:7])[cH:8][cH:9][cH:10]1)([CH3:11])[CH3:12].[Cs+:14].[F-:13].[Li+:48].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH-:49].[OH2:60].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[O:16]=[C:17]([OH:18])[C:19]1([NH:28][C:29](=[O:30])[c:31]2[cH:32][c:33](-[c:39]3[cH:40][c:41]([CH:45]([CH3:46])[CH3:47])[cH:42][cH:43][cH:44]3)[c:34]([O:37][CH3:38])[cH:35][cH:36]2)[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[CH2:27]1