HRID2311181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID13831

Tributylphosphine

C12H27P

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

HCID11150691

Tert-butyl 4-(3-chloropyrazin-2-yl)piperazine-1-carboxylate

C13H19ClN4O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2nccnc2-c2ccc(CO)cc2)CC1

HCID68594684

1,1-Dimethylethyl 4-[3-[4-(hydroxymethyl)phenyl]-2-pyrazinyl]-1-piperazinecarboxylate

C20H26N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7544e0a5228b4b5db3cbad1c6c9e9daa
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

[B-:38]([F:39])([F:40])([F:41])[F:42].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2[Cl:20])[CH2:12][CH2:13]1.[C:21](=[O:22])([O-:23])[O-:24].[C:64](=[O:65])([OH:66])[O-:67].[CH2:43]([P:44]([CH2:45][CH2:46][CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH3:55].[CH3:69][OH:70].[Cl-:56].[K+:25].[K+:26].[NH4+:57].[Na+:68].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[OH2:63].[OH:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Pd:71].[Pd:72]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][cH:16][cH:17][n:18][c:19]2-[c:32]2[cH:31][cH:30][c:29]([CH2:28][OH:27])[cH:34][cH:33]2)[CH2:12][CH2:13]1