HRID136398

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

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID10903275

tert-Butyl (3-iodopyridin-4-yl)carbamate

C10H13IN2O2

HCID53842135

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccncc1C#CCN1CCN(Cc2ccc3c(N)ncnc3c2)C(=O)C1

HCID69026971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d4030ac623942e78632f327579c31a9
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:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28]([NH:29][c:30]1[c:31]([I:36])[cH:32][n:33][cH:34][cH:35]1)=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cu:57][I:58].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:22])[CH2:15][N:16]([CH2:19][C:20]#[CH:21])[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:56]>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:22])[CH2:15][N:16]([CH2:19][C:20]#[C:21][c:31]4[c:30]([NH:29][C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:37])[cH:35][cH:34][n:33][cH:32]4)[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12