HRID1146603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6115

Aniline

C6H7N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

结构：CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Br

HCID58154346

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Nc1ccccc1

HCID57829310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9f1887407594176b249582ebf014c86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH2:4][N:5]2[C:6](=[O:25])[N:7]([c:13]3[cH:14][c:15]([C:21]([F:22])([F:23])[F:24])[c:16]([C:17]#[N:18])[cH:19][cH:20]3)[C:8](=[O:12])[C:9]2([CH3:10])[CH3:11])[cH:26][cH:27][cH:28][cH:29]1.[C:37](=[O:38])([O-:39])[O-:40].[CH3:43][C:44]1([CH3:45])[c:46]2[cH:47][cH:48][cH:49][c:50]([P:51]([c:52]3[cH:53][cH:54][cH:55][cH:56][cH:57]3)[c:58]3[cH:59][cH:60][cH:61][cH:62][cH:63]3)[c:64]2[O:65][c:66]2[c:67]1[cH:68][cH:69][cH:70][c:71]2[P:72]([c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[CH3:94][CH2:95][O:96][C:97](=[O:98])[CH3:99].[Cs+:41].[Cs+:42].[NH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[O-:86][C:87]([CH3:88])=[O:89].[O-:90][C:91]([CH3:92])=[O:93].[O:101]1[CH2:102][CH2:103][O:104][CH2:105][CH2:106]1.[OH2:100].[Pd+2:85]>>[c:2]1([NH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:3]([CH2:4][N:5]2[C:6](=[O:25])[N:7]([c:13]3[cH:14][c:15]([C:21]([F:22])([F:23])[F:24])[c:16]([C:17]#[N:18])[cH:19][cH:20]3)[C:8](=[O:12])[C:9]2([CH3:10])[CH3:11])[cH:26][cH:27][cH:28][cH:29]1