HRID1233987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID19681623

N-[(5-Bromo-2-thienyl)sulfonyl]glycine ethyl ester

C8H10BrNO4S2

HCID178437079

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNS(=O)(=O)c1ccc(C#Cc2cnc3nc(NC(=O)C(C)(C)C)nc(O)c3c2)s1

HCID178472925

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2bfdfdc78e443209e738dc10164949c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[NH:7][c:8]1[n:9][c:10]([OH:20])[c:11]2[c:12]([n:13]1)[n:14][cH:15][c:16]([C:18]#[CH:19])[cH:17]2.[CH2:21]([CH3:22])[O:23][C:24]([CH2:25][NH:26][S:27](=[O:28])(=[O:29])[c:30]1[s:31][c:32]([Br:35])[cH:33][cH:34]1)=[O:36].[CH3:57][C:58]#[N:59].[CH3:63][CH2:64][N:65]([CH2:66][CH3:67])[CH2:68][CH3:69].[I-:56].[Pd:60]([Cl:61])[Cl:62].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[NH:7][c:8]1[n:9][c:10]([OH:20])[c:11]2[c:12]([n:13]1)[n:14][cH:15][c:16]([C:18]#[C:19][c:32]1[s:31][c:30]([S:27]([NH:26][CH2:25][C:24]([O:23][CH2:21][CH3:22])=[O:36])(=[O:28])=[O:29])[cH:34][cH:33]1)[cH:17]2