HRID166254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID961

Hydroxide

HO-

HCID7912

Diisopropylamine

C6H15N

HCID8900

Heptane

C7H16

HCID11776

Triphenylphosphine

C18H15P

HCID24350

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

CuI

HCID3587356

未命名化合物

HCID10615467

未命名化合物

HCID19963264

未命名化合物

PRODUCTS

生成物

结构：CC(C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O

HCID9883481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9df10e3c1d4441638687f185a66b6244
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

[CH3:61][CH2:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[CH:24]([NH:25][CH:26]([CH3:27])[CH3:28])([CH3:29])[CH3:30].[CH:52]([CH2:53][C:54]([O-:55])=[O:56])([CH3:57])[CH3:58].[Cu:59][I:60].[I:10][c:11]1[s:12][c:13]([CH2:16][c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:14][cH:15]1.[NH4+:51].[OH-:50].[OH:1][N:2]([C:3](=[O:4])[NH2:5])[CH:6]([CH3:7])[C:8]#[CH:9].[c:31]1([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[OH:1][N:2]([C:3](=[O:4])[NH2:5])[CH:6]([CH3:7])[C:8]#[C:9][c:11]1[s:12][c:13]([CH2:16][c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[cH:14][cH:15]1