HRID944092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

结构：CSc1nc(Cl)c2c(n1)NCCCN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2=O

HCID22053599

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CSc1nc2c(c(-c3ccccc3)n1)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

HCID22053569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22de7ee6a4bd47458d499b49b83fdfc9
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:138]1[O:139][CH2:140][CH2:141][O:142][CH2:143]1.[CH3:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:24][C:25]([c:26]1[cH:27][c:28]([CH2:29][N:30]2[C:31](=[O:45])[c:32]3[c:33]([n:38][c:39]([S:43][CH3:44])[n:40][c:41]3[Cl:42])[NH:34][CH2:35][CH2:36][CH2:37]2)[cH:46][c:47]([C:49]([F:50])([F:51])[F:52])[cH:48]1)([F:53])[F:54].[Na+:18].[Na+:19].[O-:20][C:21](=[O:22])[O-:23].[c:1]1([O:7][B:8]([OH:9])[OH:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[c:1]1(-[c:41]2[c:32]3[c:33]([n:38][c:39]([S:43][CH3:44])[n:40]2)[NH:34][CH2:35][CH2:36][CH2:37][N:30]([CH2:29][c:28]2[cH:27][c:26]([C:25]([F:24])([F:53])[F:54])[cH:48][c:47]([C:49]([F:50])([F:51])[F:52])[cH:46]2)[C:31]3=[O:45])[cH:2][cH:3][cH:4][cH:5][cH:6]1