HRID677745

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6581

Acrylic acid

C3H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID10220590

未命名化合物

PRODUCTS

生成物

结构：C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C)c3)c2c1

HCID9995195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9595253fe3f348d1b729d9457ecac575
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:14][CH2:15][N:16]([CH2:17][CH3:18])[CH2:19][CH3:20].[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[NH2:21][c:22]1[cH:23][c:24]2[c:25]([NH:32][c:33]3[cH:34][c:35]([CH3:39])[cH:36][cH:37][cH:38]3)[n:26][cH:27][n:28][c:29]2[cH:30][cH:31]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:9][C:10](=[O:11])[CH:12]=[CH2:13]>>[O:9]=[C:10]([CH:12]=[CH2:13])[NH:21][c:22]1[cH:23][c:24]2[c:25]([NH:32][c:33]3[cH:34][c:35]([CH3:39])[cH:36][cH:37][cH:38]3)[n:26][cH:27][n:28][c:29]2[cH:30][cH:31]1