HRID137959

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl Acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID76319

3-Butyn-2-amine, 2-methyl-

C5H9N

HCID10451065

未命名化合物

PRODUCTS

产物

HCID313

Hydrochloric Acid

ClH

HCID22744500

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4902e87ee282466bb69ecd96b77398bf
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

[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:86][CH2:87][N:88]([CH2:89][CH3:90])[CH2:91][CH3:92].[Cl:1][c:2]1[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12.[I-:25].[NH2:26][C:27]([C:28]#[CH:29])([CH3:30])[CH3:31].[NH3:32].[OH2:74].[Pd:33]([Cl:34])[Cl:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1>>[ClH:1].[c:2]1([C:29]#[C:28][C:27]([NH2:26])([CH3:30])[CH3:31])[n:3][n:4][c:5]([NH:14][CH2:15][c:16]2[cH:17][c:18]([Cl:24])[c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:6]2[cH:7][c:8]([C:12]#[N:13])[cH:9][cH:10][c:11]12