HRID1550061

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID16731995

未命名化合物

HCID72325748

未命名化合物

PRODUCTS

生成物

结构：CCC1C(O[Si](C)(C)C(C)(C)C)CC(=O)N1c1ccc(C#N)c(Cl)c1C

HCID72325655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da332bf1c88e4fddb9976ef21e9d853c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][C:9](=[O:14])[NH:10][CH:11]1[CH2:12][CH3:13])([CH3:15])[CH3:16].[C:28](=[O:29])([O-:30])[O-:31].[Cl:17][c:18]1[c:19]([C:20]#[N:21])[cH:22][cH:23][c:24]([I:27])[c:25]1[CH3:26].[Cs+:32].[Cs+:33].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[c:43]3[c:67]([cH:68][cH:69][cH:70]2)[C:64]([CH3:65])([CH3:66])[c:46]2[c:45]([c:50]([P:51]([c:52]4[cH:53][cH:54][cH:55][cH:56][cH:57]4)[c:58]4[cH:59][cH:60][cH:61][cH:62][cH:63]4)[cH:49][cH:48][cH:47]2)[O:44]3)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][C:9](=[O:14])[N:10]([c:24]2[cH:23][cH:22][c:19]([C:20]#[N:21])[c:18]([Cl:17])[c:25]2[CH3:26])[CH:11]1[CH2:12][CH3:13])([CH3:15])[CH3:16]