HRID817397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)CN1CCN2CCN(CC(C)C)P1N(CC(C)C)CC2

HCID4571243

2,8,9-Triisobutyl-2,5,8,9-tetraaza-1-phosphabicyclo[3.3.3]undecane

C18H39N4P

HCID51050526

未命名化合物

HCID55289821

5-Amino-4-methylpyridine-2-carbonitrile

C7H7N3

PRODUCTS

生成物

结构：COc1c(Nc2cnc(C#N)cc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID11647573

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20fad29aeeeb483396ad0fe7f247533b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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