HRID2327672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

HCID2773302

N-Boc-indole-2-boronic acid

C13H16BNO4

HCID68489089

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1c(-c2ccc(N)c3c2C(=O)NC3=O)cc2ccccc21

HCID68492812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d483b22ed47244818877e21ac912b499
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:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[n:21]1[c:22]([B:30]([OH:31])[OH:32])[cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12.[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[CH3:62][C:63]#[N:64].[NH2:1][c:2]1[c:3]2[c:4]([c:10]([Br:13])[cH:11][cH:12]1)[C:5](=[O:6])[NH:7][C:8]2=[O:9].[OH2:74].[Pd+2:69].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][c:39]1[P:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[CH3:54]>>[NH2:1][c:2]1[c:3]2[c:4]([c:10](-[c:22]3[n:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[c:29]4[c:24]([cH:23]3)[cH:25][cH:26][cH:27][cH:28]4)[cH:11][cH:12]1)[C:5](=[O:6])[NH:7][C:8]2=[O:9]