HRID312691

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID46736798

1-(1-Ethoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C13H23BN2O3

HCID57868847

Propanoic acid, 2,2-dimethyl-, (4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methyl ester

C12H14ClN3O2

PRODUCTS

生成物

结构：CCOC(C)n1cc(-c2ncnc3c2ccn3COC(=O)C(C)(C)C)cn1

HCID57868870

Propanoic acid, 2,2-dimethyl-, [4-[1-(1-ethoxyethyl)-1H-pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl ester

C19H25N5O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc6967b6e9dd4bbebd2d2ece5f74462a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2[Cl:18].[C:38](=[O:39])([O-:40])[O-:41].[CH2:19]([CH3:20])[O:21][CH:22]([CH3:23])[n:24]1[n:25][cH:26][c:27]([B:29]2[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]2)[cH:28]1.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[K+:42].[K+:43].[OH2:50].[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:27]1[cH:26][n:25][n:24]([CH:22]([O:21][CH2:19][CH3:20])[CH3:23])[cH:28]1