HRID102798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6405

2-Methyl-2-butanol

C5H12O

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

结构：CC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(N)s2)c(F)c1

HCID58335271

未命名化合物

HCID58335275

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)c1cc(F)c(-c2nc(C(N)=O)c(Nc3cccc(C(CO)N4CCOCC4)n3)s2)c(F)c1

HCID45101938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-740ff6cbafcc49b78e10d5bbb0c00c2e
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

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