HRID2348665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID84468

Trifluoroacetate

C2F3O2-

2 次

HCID105144

Palladium(2+)

Pd+2

结构：COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC4CNC4)cc3)cc21

HCID68497806

未命名化合物

PRODUCTS

生成物

结构：COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC4CN(c5nccs5)C4)cc3)cc21

HCID68497781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e11a02927bdb4ec48caa20f20139d1c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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