HRID1572274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

HCID68584694

未命名化合物

PRODUCTS

生成物

结构：CCc1c(C)c(C#N)c2nc(C3CC3)oc2c1N1CCC(N(C)C)C1

HCID77526399

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4643f0d0bcde45209602cd9286e2ff9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:26][N:27]([CH:28]1[CH2:29][NH:30][CH2:31][CH2:32]1)[CH3:33].[CH3:39][S:40](=[O:41])[CH3:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:17]#[N:18])[c:10]([CH3:16])[c:11]([CH2:14][CH3:15])[c:12]3[F:13])[CH2:2][CH2:3]1.[Na+:34].[OH:35][C:36](=[O:37])[O-:38]>>[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:17]#[N:18])[c:10]([CH3:16])[c:11]([CH2:14][CH3:15])[c:12]3[N:30]2[CH2:29][CH:28]([N:27]([CH3:26])[CH3:33])[CH2:32][CH2:31]2)[CH2:2][CH2:3]1