HRID817847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID28486

Lithium ion

Li+

HCID2773380

2,3-Dihydro-1-benzofuran-5-ylboronic acid

C8H9BO3

结构：O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(Br)cnc21

HCID10416758

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccccc1)n1cc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c2cc(-c3ccc4c(c3)CCO4)cnc21

HCID67051390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4895741b0f014971a7a4f0c90a78d6f0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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