HRID1221310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2758519

3-(Dimethylamino)pyrrolidine

C6H14N2

结构：Cc1c(-c2cccs2)c(F)c2oc(C3CC3)nc2c1C#N

HCID68585976

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2cccs2)c(N2CCC(N(C)C)C2)c2oc(C3CC3)nc2c1C#N

HCID75604947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba1ad7cdaebc4fcf8efd453ec05a25bd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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