HRID1146935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID219158

4-Chlorobenzaldehyde oxime

C7H6ClNO

结构：C=C(c1cc(C)c(NC(=O)c2ccc(C#N)c(N)c2)c(C)c1)C(F)(F)F

HCID59455907

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2(C(F)(F)F)CC(c3ccc(Cl)cc3)=NO2)cc(C)c1NC(=O)c1ccc(C#N)c(N)c1

HCID59455908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99fc174294d54076a7ab71691ec253b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[Cl:11][N:12]1[C:13](=[O:14])[CH2:15][CH2:16][C:17]1=[O:18].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:6]=[N:7][OH:8])[cH:9][cH:10]1.[NH2:19][c:20]1[cH:21][c:22]([C:23](=[O:24])[NH:25][c:26]2[c:27]([CH3:39])[cH:28][c:29]([C:33](=[CH2:34])[C:35]([F:36])([F:37])[F:38])[cH:30][c:31]2[CH3:32])[cH:40][cH:41][c:42]1[C:43]#[N:44].[OH2:57]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]2=[N:7][O:8][C:33]([c:29]3[cH:28][c:27]([CH3:39])[c:26]([NH:25][C:23]([c:22]4[cH:21][c:20]([NH2:19])[c:42]([C:43]#[N:44])[cH:41][cH:40]4)=[O:24])[c:31]([CH3:32])[cH:30]3)([C:35]([F:36])([F:37])[F:38])[CH2:34]2)[cH:9][cH:10]1