HRID89698

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

HCID4033090

4-bromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

C12H17BrN2O2S

结构：Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(N)nc12

HCID59837607

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc([N+](=O)[O-])c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12

HCID59837684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bbb01c53577458eadcc7e80f018e7be
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

[Br:22][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[NH:32][CH2:33][CH2:34][N:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)[cH:27][cH:28]1.[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][c:2]1[cH:3][c:4](-[c:13]2[cH:14][c:15]([N+:19](=[O:20])[O-:21])[cH:16][cH:17][cH:18]2)[cH:5][c:6]2[c:7]1[n:8][c:9]([NH2:12])[n:10][n:11]2.[Cs+:44].[Cs+:45].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:126]=[C:127]([CH:128]=[CH:129][c:130]1[cH:131][cH:132][cH:133][cH:134][cH:135]1)[CH:136]=[CH:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:88].[Pd:89].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[c:55]3[c:79]([cH:80][cH:81][cH:82]2)[C:76]([CH3:77])([CH3:78])[c:58]2[c:57]([c:62]([P:63]([c:64]4[cH:65][cH:66][cH:67][cH:68][cH:69]4)[c:70]4[cH:71][cH:72][cH:73][cH:74][cH:75]4)[cH:61][cH:60][cH:59]2)[O:56]3)[cH:83][cH:84][cH:85][cH:86][cH:87]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:13]2[cH:14][c:15]([N+:19](=[O:20])[O-:21])[cH:16][cH:17][cH:18]2)[cH:5][c:6]2[c:7]1[n:8][c:9]([NH:12][c:23]1[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[NH:32][CH2:33][CH2:34][N:35]3[CH2:36][CH2:37][CH2:38][CH2:39]3)[cH:27][cH:28]1)[n:10][n:11]2