HRID94129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1117

Sulfate

O4S-2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

结构：C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C(=O)O1

HCID72344316

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(-c3nccs3)cc2)C(=O)O1

HCID178438331

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0d74c6478d34062aa59f6273544912c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:35][c:36]1[s:37][cH:38][cH:39][n:40]1.[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Na+:41].[Na+:42].[O-:43][S:44]([O-:45])(=[O:46])=[O:47].[Pd:59]([Cl:60])[Cl:61].[c:62]1([P:63]([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)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([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)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16](-[c:36]3[s:37][cH:38][cH:39][n:40]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1