HRID2330418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2773302

N-Boc-indole-2-boronic acid

C13H16BNO4

HCID23092463

未命名化合物

PRODUCTS

生成物

结构：COc1nnc(-c2ccncc2)cc1-c1cc2ccccc2n1C(=O)OC(C)(C)C

HCID67148857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11b01615c7984cdfba86da91b26d499e
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

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