HRID2345983

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

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID77922

tert-Butyl carbamate

C5H11NO2

HCID105144

Palladium(2+)

Pd+2

结构：Fc1cnc(Cl)nc1-c1cccnc1Oc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

HCID86614169

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ncc(F)c(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccccc34)cc2)n1

HCID66731483

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa7aea2ff6f44889bf0155e0db54987d
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:45]([NH2:46])([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52].[C:53](=[O:54])([O-:55])[O-:56].[CH2:1]1[O:2][CH2:3][CH2:4][O:5][CH2:6]1.[CH3:71][OH:72].[Cl:59][CH2:60][Cl:61].[Cl:7][c:8]1[n:9][cH:10][c:11]([F:44])[c:12](-[c:14]2[c:15]([O:20][c:21]3[cH:22][cH:23][c:24]([NH:27][c:28]4[n:29][n:30][c:31](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]45)[cH:25][cH:26]3)[n:16][cH:17][cH:18][cH:19]2)[n:13]1.[K+:57].[K+:58].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[Pd+2:62]>>[c:8]1([NH:46][C:45]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[n:9][cH:10][c:11]([F:44])[c:12](-[c:14]2[c:15]([O:20][c:21]3[cH:22][cH:23][c:24]([NH:27][c:28]4[n:29][n:30][c:31](-[c:38]5[cH:39][cH:40][cH:41][cH:42][cH:43]5)[c:32]5[cH:33][cH:34][cH:35][cH:36][c:37]45)[cH:25][cH:26]3)[n:16][cH:17][cH:18][cH:19]2)[n:13]1