HRID1121325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

结构：CC1(C)OB(c2ccc3[nH]c(=O)[nH]c3c2)OC1(C)C

HCID43811065

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one

C13H17BN2O3

结构：CN1C(=O)C(Cc2ccccc2Br)N=C(Cl)c2cc(Cl)ccc21

HCID59594377

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(Cc2ccccc2Br)N=C(c2ccc3[nH]c(=O)[nH]c3c2)c2cc(Cl)ccc21

HCID59594391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9162acbced474d74b5fe9ed8ac8e3b3f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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