HRID167852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2773486

4-Methoxy-2-methylphenylboronic acid

C8H11BO3

HCID2795489

Methyl 5-bromo-4-methyl-2-thiophenecarboxylate

C7H7BrO2S

PRODUCTS

生成物

HCID66704223

Methyl 5-(4-methoxy-2-methylphenyl)-4-methyl-2-thiophenecarboxylate

C15H16O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2ac8fc576894678a012591c8ccd9131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:13][O:14][C:15](=[O:16])[c:17]1[s:18][c:19]([Br:23])[c:20]([CH3:22])[cH:21]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:12])[c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[OH2:37].[Pd:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH3:12])[c:6](-[c:19]2[s:18][c:17]([C:15]([O:14][CH3:13])=[O:16])[cH:21][c:20]2[CH3:22])[cH:7][cH:8]1