HRID1148541

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

HCID22391973

6-Bromo-α,α-dimethyl-3-pyridinemethanol

C8H10BrNO

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

PRODUCTS

生成物

结构：CC(C)(O)c1ccc(Nc2sc(-c3c(F)cc(C(C)(C)O)cc3F)nc2C(N)=O)nc1

HCID57482804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-345a96a20eb64d56a0ab086cacb2b312
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:22][c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])([CH3:31])[OH:32])[cH:27][n:28]1.[C:33](=[O:34])([O-:35])[O-:36].[C:39]([OH:40])([CH2:41][CH3:42])([CH3:43])[CH3:44].[K+:37].[K+:38].[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:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]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:45].[Pd:46]>>[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][c:26]([C:29]([CH3:30])([CH3:31])[OH:32])[cH:27][n:28]1