HRID1203291

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

HCID67104957

未命名化合物

HCID178433433

未命名化合物

PRODUCTS

生成物

结构：Cc1c(N2C(=O)CC(O[Si](C)(C)C(C)(C)C)C2C)ccc(C#N)c1Cl

HCID72325720

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12fbcf24c3d4450d9ca95b3792877476
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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