HRID1563206

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

HCID4112251

未命名化合物

结构：Cc1c(-c2ccccc2)c(F)c2oc(C(C)(C)C)nc2c1C#N

HCID68584607

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(N2CCCC(NC(=O)OCc3ccccc3)C2)c2oc(C(C)(C)C)nc2c1C#N

HCID178421923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8de100e76e8640b9ae08314409702e22
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

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