HRID1147159

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

2 次

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

HCID67210907

未命名化合物

HCID178437417

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(C)cc(C)cc2n1Cc1ccc2c(c1)COc1ccccc1C2=C(C)C#N

HCID69016151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9cca2a9f0cb41f9b8a605aa17d507fc
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-:31].[CH2:41]([CH3:42])[c:43]1[nH:44][c:45]2[c:46]([n:47]1)[cH:48][c:49]([CH3:53])[cH:50][c:51]2[CH3:52].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:32][S:33]([O:34][S:35]([CH3:36])(=[O:37])=[O:38])(=[O:39])=[O:40].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Li+:30].[Li+:54].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH-:55].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([cH:20][cH:21]1)[C:7](=[C:16]([C:17]#[N:18])[CH3:19])[c:8]1[c:9]([cH:12][cH:13][cH:14][cH:15]1)[O:10][CH2:11]2.[n:22]1[c:23]([CH3:24])[cH:25][cH:26][cH:27][c:28]1[CH3:29]>>[CH2:2]([c:3]1[cH:4][c:5]2[c:6]([cH:20][cH:21]1)[C:7](=[C:16]([C:17]#[N:18])[CH3:19])[c:8]1[c:9]([cH:12][cH:13][cH:14][cH:15]1)[O:10][CH2:11]2)[n:47]1[c:43]([CH2:41][CH3:42])[n:44][c:45]2[c:46]1[cH:48][c:49]([CH3:53])[cH:50][c:51]2[CH3:52]