HRID170874

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID104020

Ethyl 2,4-dichloropyrimidine-5-carboxylate

C7H6Cl2N2O2

HCID2756485

tert-Butyl 3-(aminomethyl)pyrrolidine-1-carboxylate

C10H20N2O2

PRODUCTS

生成物

结构：CCOC(=O)c1cnc(Cl)nc1NCC1CCN(C(=O)OC(C)(C)C)C1

HCID58098693

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71239ac91c724c0698d982e2cd3bbe7b
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

[C:14](=[O:15])([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[N:21]1[CH2:22][CH:23]([CH2:26][NH2:27])[CH2:24][CH2:25]1.[CH3:38][C:39]#[N:40].[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[c:6]([Cl:8])[n:7]1.[OH2:37]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[c:6]([NH:27][CH2:26][CH:23]2[CH2:22][N:21]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:25][CH2:24]2)[n:7]1