HRID946201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7912

Diisopropylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID79346

Pent-4-yn-1-ol

C5H8O

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

结构：CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(Br)c2)N=C1N

HCID59790307

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(C#CCCCO)c2)N=C1N

HCID59790323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39a14ce89a644897a84632dfc5ab4d52
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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