HRID313480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID84432

4-Amino-2-chloropyridine

C5H5ClN2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1

HCID2734914

未命名化合物

结构：CC1(C)OB(c2ccc(-c3nc4c(cnn4-c4ccccc4)c(=O)n3-c3ccc(Cl)cc3)cc2)OC1(C)C

HCID57897972

未命名化合物

PRODUCTS

生成物

结构：Nc1ccnc(-c2ccc(-c3nc4c(cnn4-c4ccccc4)c(=O)n3-c3ccc(Cl)cc3)cc2)c1

HCID57897822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bacaaa4990ae41f794e04088abde6470
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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