HRID147667

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

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

结构：CCOC(=O)Cc1cc(C(=O)c2ccc(I)c([N+](=O)[O-])c2)sc1Br

HCID67495826

未命名化合物

HCID86664843

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1cc(C(=O)c2ccc(C#Cc3ccc(C(=O)OCc4ccccc4)cc3)c([N+](=O)[O-])c2)sc1Br

HCID67496549

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f271400e93914a9db9a0569504b7f98d
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

[Br:1][c:2]1[s:3][c:4]([C:13]([c:14]2[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([I:20])[cH:18][cH:19]2)=[O:24])[cH:5][c:6]1[CH2:7][C:8](=[O:9])[O:10][CH2:11][CH3:12].[C:25](#[CH:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[K+:43].[K+:44].[O-:45][C:46]([O-:47])=[O:48].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:102].[Pd:61]([Cl:62])[Cl:63].[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[Br:1][c:2]1[s:3][c:4]([C:13]([c:14]2[cH:15][c:16]([N+:21](=[O:22])[O-:23])[c:17]([C:26]#[C:25][c:27]3[cH:28][cH:29][c:30]([C:31](=[O:32])[O:33][CH2:34][c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[cH:41][cH:42]3)[cH:18][cH:19]2)=[O:24])[cH:5][c:6]1[CH2:7][C:8](=[O:9])[O:10][CH2:11][CH3:12]