HRID1564541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

反应SMILES：COc1nc(Cl)cc(NCCc2ccc(Cl)cc2Cl)n1

HCID57636004

未命名化合物

HCID68932577

未命名化合物

PRODUCTS

产物

反应SMILES：COc1nc(NCCc2ccc(Cl)cc2Cl)cc(-c2ccc(C(=O)O)s2)n1

HCID57635999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-122d2ef2284d4e838381c7a0ccc6fb22
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

[CH3:21][C:22]1([CH3:23])[CH2:24][O:25][B:26]([c:28]2[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[s:32]2)[O:27][CH2:36]1.[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Cl:1][c:2]1[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1.[Cs+:38].[F-:37].[OH2:39].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:28]2[cH:29][cH:30][c:31]([C:33](=[O:34])[OH:35])[s:32]2)[cH:3][c:4]([NH:10][CH2:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[n:5][c:6]([O:8][CH3:9])[n:7]1