HRID1138759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1cc(C)c(CNC(=O)c2cc(Br)nc3c2cnn3C(C)C)c(=O)[nH]1

HCID86703409

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：C=Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1

HCID68294850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cb433174a8f4320ad808b811ec31c94
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[c:6]([n:7]1)[n:8]([CH:11]([CH3:12])[CH3:13])[n:9][cH:10]2.[C:27](=[O:28])([O-:29])[O-:30].[CH2:38]1[CH2:39][O:43][CH2:42][CH2:41][O:40]1.[CH3:33][OH:34].[Cl:35][CH2:36][Cl:37].[Na+:31].[Na+:32].[OH2:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1([CH:38]=[CH2:39])[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[c:6]([n:7]1)[n:8]([CH:11]([CH3:12])[CH3:13])[n:9][cH:10]2