HRID1542503

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

HCID211452

Pyrrolidine, 1-(2-(m-bromophenoxy)ethyl)-

C12H16BrNO

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：COc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1

HCID24822753

7-(2-Chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazin-3-amine

C15H13ClN4O

PRODUCTS

生成物

结构：COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4cccc(OCCN5CCCC5)c4)nnc3c2)c1

HCID59837631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e41f8086c3074fa5a27dec89fdc91280
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

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