HRID120959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID67273272

未命名化合物

HCID91243702

未命名化合物

PRODUCTS

生成物

结构：CCCCCNC(=O)N(C)c1cccc(-c2ccc(C=C(C)C(=O)OCC)cc2OCCCC)c1

HCID91458561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-382bed5e5b4648eabda1aed3816d25be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH2:26]([CH2:27][CH2:28][CH3:29])[O:30][c:31]1[cH:32][c:33]([CH:38]=[C:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[cH:34][cH:35][c:36]1[I:37].[CH3:46][N:47]([C:48](=[O:49])[NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[c:56]1[cH:57][c:58]([B:62]([OH:63])[OH:64])[cH:59][cH:60][cH:61]1.[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1.[Cl-:78].[K+:70].[K+:71].[K+:72].[NH4+:79].[P:65]([O-:66])([O-:67])([O-:68])=[O:69].[Pd+2:84]>>[CH2:26]([CH2:27][CH2:28][CH3:29])[O:30][c:31]1[cH:32][c:33]([CH:38]=[C:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[CH3:45])[cH:34][cH:35][c:36]1-[c:58]1[cH:57][c:56]([N:47]([CH3:46])[C:48](=[O:49])[NH:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55])[cH:61][cH:60][cH:59]1