HRID2140399

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

HCID1140

Toluene

C7H8

HCID7505

Benzonitrile

C7H5N

2 次

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

HCID241163

4-Chloro-6-methyl-2-(methylthio)pyrimidine

C6H7ClN2S

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

PRODUCTS

生成物

HCID18356787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-169039cd208b43f896e845e1a0628f8b
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

[C:54](=[O:55])([O-:56])[OH:57].[C:62](#[N:63])[c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1.[C:70](#[N:71])[c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Cl:31][c:32]1[n:33][c:34]([S:39][CH3:40])[n:35][c:36]([CH3:38])[cH:37]1.[F:41][C:42]([c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1)([F:52])[F:53].[Na+:58].[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[OH2:84].[Pd:59]([Cl:60])[Cl:61].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[CH2:9][CH2:10][CH2:11][CH2:12][P:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[c:32]1(-[c:46]2[cH:45][cH:44][c:43]([C:42]([F:41])([F:52])[F:53])[cH:48][cH:47]2)[n:33][c:34]([S:39][CH3:40])[n:35][c:36]([CH3:38])[cH:37]1