HRID696158

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

Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

反应SMILES：CN1CCN(c2ccc(Nc3ncc4ccc(Br)n4n3)cc2)CC1

HCID66711200

未命名化合物

PRODUCTS

产物

反应SMILES：CN1CCN(c2ccc(Nc3ncc4ccc(-c5ccc(CO)cc5)n4n3)cc2)CC1

HCID66712479

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-62b110568e814d15b190b238508f715d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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