HRID680100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID161282

Cerium trichloride

CeCl3

HCID16682930

Triethylaluminum

C6H15Al

HCID46930335

(5-Bromo-2-chlorophenyl)(6-bromo-3-pyridinyl)methanone

C12H6Br2ClNO

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

HCID46930524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f89e36942f14b1cac11a5fd9bbd3b4e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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