HRID199484

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+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID2759867

(1-Methyl-1H-indol-5-yl)boronic acid

C9H10BNO2

HCID12677176

Ethyl 4-chloro-2-methylpyrimidine-5-carboxylate

C8H9ClN2O2

PRODUCTS

生成物

HCID69037048

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2b507644a604c8c974b76846f08486a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:13][CH2:14][OH:15].[CH3:29][n:30]1[cH:31][cH:32][c:33]2[cH:34][c:35]([B:39]([OH:40])[OH:41])[cH:36][cH:37][c:38]12.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH3:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[Cl:16][c:17]1[n:18][c:19]([CH3:28])[n:20][cH:21][c:22]1[C:23](=[O:24])[O:25][CH2:26][CH3:27].[Na+:5].[O-:1][C:2]([OH:3])=[O:4].[OH2:48].[Pd:49].[c:107]1([P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122][cH:123][cH:124][cH:125]1.[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1.[c:69]1([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([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)[cH:102][cH:103][cH:104][cH:105][cH:106]1>>[c:17]1(-[c:35]2[cH:34][c:33]3[cH:32][cH:31][n:30]([CH3:29])[c:38]3[cH:37][cH:36]2)[n:18][c:19]([CH3:28])[n:20][cH:21][c:22]1[C:23](=[O:24])[O:25][CH2:26][CH3:27]