HRID1150222

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID18525955

Methyl 5-iodo-6-oxo-1,6-dihydropyridine-3-carboxylate

C7H6INO3

结构：CC1(C)OB(c2ccc(Cl)c(OCc3ccccc3)c2)OC1(C)C

HCID59846881

未命名化合物

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：COC(=O)c1c[nH]c(=O)c(-c2ccc(Cl)c(OCc3ccccc3)c2)c1

HCID66720752

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1d9201dbb7d4a9281938030ede7deb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][c:21]1[cH:22][c:23]([B:28]2[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]2)[cH:24][cH:25][c:26]1[Cl:27].[CH2:45]([CH2:46][O:47][CH3:48])[O:49][CH3:50].[CH3:37][CH2:38][OH:39].[I:1][c:2]1[cH:3][c:4]([C:9](=[O:10])[O:11][CH3:12])[cH:5][nH:6][c:7]1=[O:8].[Na+:44].[O-:40][C:41]([OH:42])=[O:43].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([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)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1(-[c:23]2[cH:22][c:21]([O:20][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:26]([Cl:27])[cH:25][cH:24]2)[cH:3][c:4]([C:9](=[O:10])[O:11][CH3:12])[cH:5][nH:6][c:7]1=[O:8]