HRID960462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID23994

Zinc

HCID10443142

3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-5-carbonyl chloride

C9H6ClNO3

HCID22327428

1-(Bromomethyl)-2-chloro-4-methoxybenzene

C8H8BrClO

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：COc1ccc(CC(=O)c2ccc3oc(=O)n(C)c3c2)c(Cl)c1

HCID66697040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28bac57045304d83b993bb0eaf811512
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:15][CH2:16][c:17]1[c:18]([Cl:25])[cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1.[CH3:1][n:2]1[c:3](=[O:14])[o:4][c:5]2[c:6]1[cH:7][c:8]([C:11](=[O:12])[Cl:13])[cH:9][cH:10]2.[CH3:31][O:32][CH2:33][CH2:34][O:35][CH3:36].[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[Zn:37].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[CH3:1][n:2]1[c:3](=[O:14])[o:4][c:5]2[c:6]1[cH:7][c:8]([C:11](=[O:12])[CH2:16][c:17]1[c:18]([Cl:25])[cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1)[cH:9][cH:10]2