HRID2159633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2829415

2-(4-chlorophenyl)-5-methyl-1,3,4-oxadiazole

C9H7ClN2O

结构：CC1(C)OB(c2ccc(C(=O)N3CCCC3CN3CCCC3)cc2)OC1(C)C

HCID67373507

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(-c2ccc(-c3ccc(C(=O)N4CCCC4CN4CCCC4)cc3)cc2)o1

HCID11582434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-865af38301d84951ad33f210d1dc9643
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

[C:61](=[O:62])([O-:63])[O-:64].[CH3:76][CH2:77][OH:78].[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1.[K+:65].[K+:66].[N:14]1([CH2:19][CH:20]2[N:21]([C:25](=[O:26])[c:27]3[cH:28][cH:29][c:30]([B:33]4[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]4)[cH:31][cH:32]3)[CH2:22][CH2:23][CH2:24]2)[CH2:15][CH2:16][CH2:17][CH2:18]1.[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[Pd+2:67]>>[c:2]1(-[c:30]2[cH:29][cH:28][c:27]([C:25]([N:21]3[CH:20]([CH2:19][N:14]4[CH2:15][CH2:16][CH2:17][CH2:18]4)[CH2:24][CH2:23][CH2:22]3)=[O:26])[cH:32][cH:31]2)[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1