HRID141625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2733372

4-isocyanato-N,N-dimethylaniline

C9H10N2O

结构：CC1=C(CCCCCN2CCNCC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID22562427

未命名化合物

PRODUCTS

生成物

结构：CC1=C(CCCCCN2CCN(C(=O)Nc3ccc(N(C)C)cc3)CC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O

HCID22562733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0673afbc527b47b79313266a51f6bf92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:20][C:21]1=[C:25]([CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][N:31]2[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]2)[C:24](=[O:37])[N:23]([c:38]2[cH:39][c:40]([C:46]([F:47])([F:48])[F:49])[c:41]([C:42]#[N:43])[cH:44][cH:45]2)[C:22]1=[O:50].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH3:8][N:9]([c:10]1[cH:11][cH:12][c:13]([N:16]=[C:17]=[O:18])[cH:14][cH:15]1)[CH3:19].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH3:8][N:9]([c:10]1[cH:11][cH:12][c:13]([NH:16][C:17](=[O:18])[N:34]2[CH2:33][CH2:32][N:31]([CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][C:25]3=[C:21]([CH3:20])[C:22](=[O:50])[N:23]([c:38]4[cH:39][c:40]([C:46]([F:47])([F:48])[F:49])[c:41]([C:42]#[N:43])[cH:44][cH:45]4)[C:24]3=[O:37])[CH2:36][CH2:35]2)[cH:14][cH:15]1)[CH3:19]