HRID941265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

HCID4642098

tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydropyridine-1(2H)-carboxylate

C16H28BNO4

HCID54578326

(7-Bromo-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-(4-morpholin-4-yl-phenyl)-amine

C16H16BrN5O

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)CC1

HCID66712214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be3a4120ed0b45a999e58288aa6e6e6d
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

[Br:20][c:21]1[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([NH:30][c:31]3[cH:32][cH:33][c:34]([N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:35][cH:36]3)[n:28][n:29]12.[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[N:50]1[CH2:51][CH2:52][C:53]([B:56]2[O:57][C:58]([CH3:59])([CH3:60])[C:61]([CH3:62])([CH3:63])[O:64]2)=[CH:54][CH2:55]1.[C:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[Na+:65].[Na+:66].[O-:67][C:68](=[O:69])[O-:70].[OH2:71].[Pd+2:76].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:21]1([CH:53]2[CH2:52][CH2:51][N:50]([C:48]([O:47][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:49])[CH2:55][CH2:54]2)[cH:22][cH:23][c:24]2[cH:25][n:26][c:27]([NH:30][c:31]3[cH:32][cH:33][c:34]([N:37]4[CH2:38][CH2:39][O:40][CH2:41][CH2:42]4)[cH:35][cH:36]3)[n:28][n:29]12