HRID158944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID88006

Diethylsalicylamide

C11H15NO2

HCID2756484

tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate

C10H20N2O2

结构：Clc1ccc(-c2ccc(C#Cc3ccc(I)cc3)nc2)cc1

HCID69059929

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1CNc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1

HCID76581176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0e46a6335f84bcfbae5e75284d147a1
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

[CH2:46]([N:47]([CH2:48][CH3:49])[C:50](=[O:51])[c:52]1[c:53]([OH:58])[cH:54][cH:55][cH:56][cH:57]1)[CH3:59].[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23]#[C:24][c:25]3[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]3)[n:21][cH:22]2)[cH:15][cH:16]1.[Cu:66][I:67].[K+:7].[K+:8].[K+:9].[NH2:32][CH2:33][CH:34]1[N:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:36][CH2:37][CH2:38]1.[NH3:60].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:1].[P:2]([O-:3])([O-:4])([O-:5])=[O:6]>>[Cl:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][cH:19][c:20]([C:23]#[C:24][c:25]3[cH:26][cH:27][c:28]([NH:32][CH2:33][CH:34]4[N:35]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:36][CH2:37][CH2:38]4)[cH:29][cH:30]3)[n:21][cH:22]2)[cH:15][cH:16]1