HRID97925

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6497

Dimethyl sulfate

C2H6O4S

HCID8028

Tetrahydrofuran

C4H8O

HCID589711

未命名化合物

HCID3028194

Lithium

结构：COc1cc2nccc(Oc3ccc(CC(=O)Nc4cccnc4)cc3)c2cc1C#N

HCID67304801

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(CC(=O)N(C)c4cccnc4)cc3)c2cc1C#N

HCID67304576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-237ba91bcaab41c3b143f8878c787106
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

[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:1][SiH:2]([CH3:3])[N:4]([CH3:5])[Si:6]([CH3:7])([CH3:8])[CH3:9].[CH3:42][O:43][S:44]([O:45][CH3:46])(=[O:47])=[O:48].[Li:10].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[n:11]1[cH:12][c:13]([NH:17][C:18]([CH2:19][c:20]2[cH:21][cH:22][c:23]([O:26][c:27]3[cH:28][cH:29][n:30][c:31]4[cH:32][c:33]([O:39][CH3:40])[c:34]([C:37]#[N:38])[cH:35][c:36]34)[cH:24][cH:25]2)=[O:41])[cH:14][cH:15][cH:16]1>>[CH3:1][N:17]([c:13]1[cH:12][n:11][cH:16][cH:15][cH:14]1)[C:18]([CH2:19][c:20]1[cH:21][cH:22][c:23]([O:26][c:27]2[cH:28][cH:29][n:30][c:31]3[cH:32][c:33]([O:39][CH3:40])[c:34]([C:37]#[N:38])[cH:35][c:36]23)[cH:24][cH:25]1)=[O:41]