HRID296806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID23938

Palladium

2 次

HCID81531

Diisopropylethylamine

C8H19N

HCID95417

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

C17H14O

3 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

HCID46941915

未命名化合物

HCID178527923

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cn2nc(Sc3nnc4ccc(Cl)cn34)ccc2n1

HCID67520113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01834b9bb09546a5927e8785431fac30
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

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