HRID2133877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：CN(C)CCCOc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

HCID17998906

N,N-Dimethyl-3-{[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxy}propan-1-amine

C16H27BN2O3

结构：O=[N+]([O-])c1ccc(Oc2ccnc3cc(Br)sc23)c(F)c1

HCID59424521

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：CN(C)CCCOc1ccc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)cn1

HCID58790346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07c703307f1b435583a5b3376f788ef1
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

[Br:1][c:2]1[cH:3][c:4]2[n:5][cH:6][cH:7][c:8]([O:11][c:12]3[c:13]([F:21])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[c:9]2[s:10]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:22][N:23]([CH2:24][CH2:25][CH2:26][O:27][c:28]1[n:29][cH:30][c:31]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:32][cH:33]1)[CH3:43].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cs+:45].[F-:44].[Na+:50].[OH2:57].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)[P:102]([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)([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)[cH:133][cH:134]1>>[c:2]1(-[c:31]2[cH:30][n:29][c:28]([O:27][CH2:26][CH2:25][CH2:24][N:23]([CH3:22])[CH3:43])[cH:33][cH:32]2)[cH:3][c:4]2[n:5][cH:6][cH:7][c:8]([O:11][c:12]3[c:13]([F:21])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[c:9]2[s:10]1