HRID2143785

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3776

Isopropanol

C3H8O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14177892

Ethyl 4-(methylamino)butanoate

C7H15NO2

结构：N#Cc1ccc2nc(Cl)nc(NCc3ccc4c(c3)OCO4)c2c1

HCID21183984

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCN(C)c1nc(NCc2ccc3c(c2)OCO3)c2cc(C#N)ccc2n1

HCID22069343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3501044782e841a29e26cdea8257659b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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