HRID1233756

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID10855372

Prop-1-en-2-ylboronic Acid

C3H7BO2

HCID11099040

2-Bromo-6-iodo-3-methoxypyridine

C6H5BrINO

HCID178420554

未命名化合物

PRODUCTS

产物

HCID59135100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-db99655f5b9446f29eeac7986a102ec2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:7][c:8]1[n:9][c:10]([I:16])[cH:11][cH:12][c:13]1[O:14][CH3:15].[C:1](=[CH2:2])([CH3:3])[B:4]([OH:5])[OH:6].[CH3:110][CH2:111][O:112][C:113](=[O:114])[CH3:115].[CH3:24][O:25][CH2:26][CH2:27][O:28][CH3:29].[CH3:30][CH2:31][OH:32].[Na+:17].[Na+:18].[O-:19][C:20](=[O:21])[O-:22].[OH2:23].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([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)[cH:108][cH:109]1>>[C:1](=[CH2:2])([CH3:3])[c:10]1[n:9][c:8]([Br:7])[c:13]([O:14][CH3:15])[cH:12][cH:11]1