HRID175425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734621

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

C13H17BO4

结构：CCN(CC)CCCNc1nc(Cl)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID11951518

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：CCN(CC)CCCNc1nc(-c2ccc(C(=O)O)cc2)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57434625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-868c5f20ad3244649c7435e4d24946c0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:48](=[O:49])([O-:50])[O-:51].[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([c:38]2[cH:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45][cH:46]2)[O:47]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16])[n:7]1)[n:17](-[c:22]1[c:23]([F:29])[cH:24][cH:25][cH:26][c:27]1[F:28])[c:18](=[O:21])[cH:19][cH:20]2.[K+:52].[K+:53].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:60].[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:2]1(-[c:38]2[cH:39][cH:40][c:41]([C:42](=[O:43])[OH:44])[cH:45][cH:46]2)[c:3]2[c:4]([n:5][c:6]([NH:8][CH2:9][CH2:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16])[n:7]1)[n:17](-[c:22]1[c:23]([F:29])[cH:24][cH:25][cH:26][c:27]1[F:28])[c:18](=[O:21])[cH:19][cH:20]2