HRID105624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID21942573

Methyl 3-bromo-5-iodobenzoate

C8H6BrIO2

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

HCID178427807

未命名化合物

PRODUCTS

生成物

HCID59599704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a07047f7e244d5ebe9ca452ba656acf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:13].[C:22](=[O:23])([OH:24])[O-:25].[CH3:14][c:15]1[cH:16][cH:17][c:18]([Zn+:21])[n:19][cH:20]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:11])[cH:7][c:8]([I:10])[cH:9]1)=[O:12].[Na+:26].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)[cH:107][cH:108]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Br:11])[cH:7][c:8](-[c:18]2[cH:17][cH:16][c:15]([CH3:14])[cH:20][n:19]2)[cH:9]1)=[O:12]