HRID319742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID79222

6-Chloronicotinic acid

C6H4ClNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

HCID11521348

tert-Butyl 6-chloronicotinate

C10H12ClNO2

结构：CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12CNCC2c1ccc(C#N)cc1

HCID22025298

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C12CN(c1ccc(C(=O)OC(C)(C)C)cn1)CC2c1ccc(C#N)cc1

HCID18437009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5a41352dcc74c25847c2c3fb911ca85
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

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