HRID107127

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID2155

2-Aminothiazole

C3H4N2S

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

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

HCID12827312

4-Chlorothieno[3,2-c]pyridine

C7H4ClNS

PRODUCTS

生成物

HCID59200459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeba4822d0d148f18be9b8e857eea067
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

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