HRID153880

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

HCID12143

Benzaldehyde, oxime

C7H7NO

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

结构：C=Cc1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1

HCID68742553

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C3CC(c4ccccc4)=NO3)cs2)CC1

HCID68745205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9029446f1cf49c28d86e4d0ac4e7b10
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

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