HRID1553388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(B4OC(C)(C)C(C)(C)O4)c3)cn2)CC1

HCID53487960

tert-Butyl 4-{4-[6-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-1H-pyrazol-1-yl}piperidine-1-carboxylate

C24H36BN5O4

结构：O=S(=O)(Oc1cc2c(Cl)ccc(F)c2cn1)C(F)(F)F

HCID86633140

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：CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4cc5c(Cl)ccc(F)c5cn4)c3)cn2)CC1

HCID67520768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-913bf8aaf9094f57b33ac60ba23093cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23]([B:25]4[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1.[C:55](=[O:56])([O-:57])[O-:58].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:68][CH2:69][O:70][C:71]([CH3:72])=[O:73].[Cl:35][c:36]1[c:37]2[cH:38][c:39]([O:47][S:48]([C:49]([F:50])([F:51])[F:52])(=[O:53])=[O:54])[n:40][cH:41][c:42]2[c:43]([F:46])[cH:44][cH:45]1.[Cs+:59].[Cs+:60].[OH2:67].[cH:74]1[cH:75][cH:76][c:77]([P:78]([Pd:79]([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([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)[P:118]([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)([c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[c:143]2[cH:144][cH:145][cH:146][cH:147][cH:148]2)[cH:149][cH:150]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([NH2:34])[c:23](-[c:39]4[cH:38][c:37]5[c:36]([Cl:35])[cH:45][cH:44][c:43]([F:46])[c:42]5[cH:41][n:40]4)[cH:24]3)[cH:18]2)[CH2:12][CH2:13]1