HRID111627

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID3588738

未命名化合物

HCID59586042

未命名化合物

结构：COC(=O)c1ccc(-c2nc3cc(C#N)cc(C(C)(C)F)c3o2)cc1

HCID68743634

未命名化合物

PRODUCTS

生成物

结构：CC(C)(F)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(c5ccc(C(F)(F)F)cn5)CC4)cc3)oc12

HCID25172491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38c51dfd51b842a68f2f89b57450cb5d
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

[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:22]([CH3:23])([CH3:24])[F:25])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20]3)[o:10]2)[cH:21]1.[CH3:26][Si:27]([CH3:28])([CH3:29])[O-:30].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:56]([N:57]([CH:58]([CH3:59])[CH3:60])[CH2:61][CH3:62])([CH3:63])[CH3:64].[Cl:32][C:33]([C:34]([Cl:35])=[O:36])=[O:37].[Cl:75][CH2:76][Cl:77].[F:38][C:39]([c:40]1[cH:41][cH:42][c:43]([N:46]2[CH2:47][CH2:48][CH:49]([CH2:52][NH2:53])[CH2:50][CH2:51]2)[n:44][cH:45]1)([F:54])[F:55].[K+:31].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([C:22]([CH3:23])([CH3:24])[F:25])[c:6]2[c:7]([n:8][c:9](-[c:11]3[cH:12][cH:13][c:14]([C:15](=[O:16])[NH:53][CH2:52][CH:49]4[CH2:48][CH2:47][N:46]([c:43]5[cH:42][cH:41][c:40]([C:39]([F:38])([F:54])[F:55])[cH:45][n:44]5)[CH2:51][CH2:50]4)[cH:19][cH:20]3)[o:10]2)[cH:21]1