HRID136919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID24841

Hydrogen iodide

HCID30165

Iodide ion

I-

HCID9984168

未命名化合物

HCID18464564

2-(3-Phenylpyrrolidin-3-yl)ethan-1-ol

C12H17NO

结构：COc1cc(C(=O)N2CCC(CCOS(C)(=O)=O)(c3ccccc3)C2)cc(OC)c1OC

HCID18464630

未命名化合物

结构：COc1ccc(C(=O)OC(C(=O)O)(C(=O)c2ccc(OC)cc2)C(O)C(=O)O)cc1

HCID53442701

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21

HCID18464471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-523437ae37ce43b3a5bdc891f1059255
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

[C:33]([O:34][C:35]([C:36](=[O:37])[c:38]1[cH:39][cH:40][c:41]([O:42][CH3:43])[cH:44][cH:45]1)([CH:46]([C:47]([OH:48])=[O:49])[OH:50])[C:51]([OH:52])=[O:53])(=[O:54])[c:55]1[cH:56][cH:57][c:58]([O:59][CH3:60])[cH:61][cH:62]1.[CH2:78]([CH3:79])[O:80][CH2:81][CH2:82][n:83]1[c:84]([N:92]2[CH2:93][CH2:94][NH:95][CH2:96][CH2:97][CH2:98]2)[n:85][c:86]2[c:87]1[cH:88][cH:89][cH:90][cH:91]2.[CH3:101][CH2:102][N:103]([CH2:104][CH3:105])[CH2:106][CH3:107].[CH3:108][C:109]#[N:110].[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][O:15][S:16]([CH3:17])(=[O:18])=[O:19])([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30].[I-:100].[IH:77].[K+:99].[c:63]1([C:64]2([CH2:65][CH2:66][OH:67])[CH2:68][CH2:69][NH:70][CH2:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH2:9][C:10]([CH2:13][CH2:14][N:95]3[CH2:94][CH2:93][N:92]([c:84]4[n:83]([CH2:82][CH2:81][O:80][CH2:78][CH3:79])[c:87]5[c:86]([n:85]4)[cH:91][cH:90][cH:89][cH:88]5)[CH2:98][CH2:97][CH2:96]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:11][CH2:12]2)[cH:26][c:27]([O:31][CH3:32])[c:28]1[O:29][CH3:30]