HRID1570840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

结构：CC(C)(C)[Si](C)(C)Oc1cccc2ccc(-c3nnc4ccc(Br)cn34)nc12

HCID67230526

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12

HCID67230521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-310c386911ef4ed4811b05bc73fc858d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8](-[c:11]1[n:12][c:13]3[c:14]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[cH:15][cH:16][cH:17][c:18]3[cH:19][cH:20]1)[n:9][n:10]2.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:29]1([B:32]([OH:33])[OH:34])[CH2:30][CH2:31]1.[K+:40].[K+:41].[K+:42].[O-:52][C:53]([CH3:54])=[O:55].[O-:56][C:57]([CH3:58])=[O:59].[OH2:43].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[Pd+2:51]>>[c:2]1([CH:29]2[CH2:30][CH2:31]2)[cH:3][cH:4][c:5]2[n:6]([cH:7]1)[c:8](-[c:11]1[n:12][c:13]3[c:14]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[cH:15][cH:16][cH:17][c:18]3[cH:19][cH:20]1)[n:9][n:10]2