HRID1547394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID21986264

未命名化合物

结构：COC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID22571763

未命名化合物

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：COC(=O)C(Cc1ccc(-c2ccsc2C#N)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499778

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfaaef1be1444739995930d49f1d00e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20]([O:23][S:24]([C:25]([F:26])([F:27])[F:28])(=[O:29])=[O:30])[cH:21][cH:22]1)=[O:31].[CH3:32][Sn:33]([c:34]1[c:35]([C:39]#[N:40])[s:36][cH:37][cH:38]1)([CH3:41])[CH3:42].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl-:43].[Cl-:45].[Li+:44].[NH4+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8]([Cl:14])[cH:9][cH:10][cH:11][c:12]1[Cl:13])=[O:15])[CH2:16][c:17]1[cH:18][cH:19][c:20](-[c:34]2[c:35]([C:39]#[N:40])[s:36][cH:37][cH:38]2)[cH:21][cH:22]1)=[O:31]