HRID2161875

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

HCID1031

1-Propanol

C3H8O

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID105144

Palladium(2+)

Pd+2

HCID69177518

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc2c(N)nc3cc(-c4ccccc4)ccc3c2n1NC(C)C

HCID11595634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1ab1bcb88ed428d85c3600c0a70ae6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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