HRID107224

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID3712910

未命名化合物

HCID11094805

propargyltrifluoroacetamide

C5H4F3NO

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(=O)n(C2OC(CO)C(O)C2O)cc1C#CCNC(=O)C(F)(F)F

HCID76799509

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2f33328752745fe861ecb9e7c562b2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:37](=[O:38])([OH:39])[O-:40].[CH2:20]([C:21]#[CH:22])[NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:44][OH:45].[Cl:41][CH2:42][Cl:43].[I-:19].[I:1][c:2]1[c:3]([NH2:18])[n:4][c:5](=[O:17])[n:6]([CH:7]2[CH:8]([OH:9])[CH:10]([OH:11])[CH:12]([CH2:13][OH:14])[O:15]2)[cH:16]1.[O:123]=[CH:124][N:125]([CH3:126])[CH3:127].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[c:2]1([C:22]#[C:21][CH2:20][NH:23][C:24]([C:25]([F:26])([F:27])[F:28])=[O:29])[c:3]([NH2:18])[n:4][c:5](=[O:17])[n:6]([CH:7]2[CH:8]([OH:9])[CH:10]([OH:11])[CH:12]([CH2:13][OH:14])[O:15]2)[cH:16]1