HRID286995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6115

Aniline

C6H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID61668

Boronic acid

H3BO2

HCID17759541

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(N)c2)c1Br

HCID68836370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d6eccad195a494188918b119d72ef9b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH:20]([OH:21])[OH:22].[CH2:109]1[O:110][CH2:111][CH2:112][CH2:113]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([Br:18])[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16].[F-:30].[K+:31].[NH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[OH2:19].[Pd:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:28]2[cH:27][cH:26][cH:25][c:24]([NH2:23])[cH:29]2)[c:8]([Br:17])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16]