HRID699154

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID115017

2-Ethynylnaphthalene

C12H8

HCID11101094

2,4-NH2PYRIMIDINE,5(3,4MEO-5-I)BENZYL

C13H15IN4O2

PRODUCTS

生成物

结构：COc1cc(Cc2cnc(N)nc2N)cc(C#Cc2ccc3ccccc3c2)c1OC

HCID19081658

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b2b5e61fee54929a11c5328f52a68ef
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

[C:21](#[CH:22])[c:23]1[cH:24][c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[cH:31][cH:32]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][c:7]2[c:8]([NH2:14])[n:9][c:10]([NH2:13])[n:11][cH:12]2)[cH:15][c:16]([I:20])[c:17]1[O:18][CH3:19].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[Cu:63][I:64].[K+:37].[K+:38].[OH2:65].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][c:7]2[c:8]([NH2:14])[n:9][c:10]([NH2:13])[n:11][cH:12]2)[cH:15][c:16]([C:22]#[C:21][c:23]2[cH:24][c:25]3[cH:26][cH:27][cH:28][cH:29][c:30]3[cH:31][cH:32]2)[c:17]1[O:18][CH3:19]