HRID1120620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

HCID43811068

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinamine

C11H17BN2O2

结构：COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(Cl)c3cc(Cl)ccc32)cc1

HCID59594393

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：COc1ccc(CN2C(=O)C(Cc3ccccc3Cl)N=C(c3cncc(N)c3)c3cc(Cl)ccc32)cc1

HCID67283499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d7e6203d6324eecbf74024728933129
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

[CH3:32][C:33]1([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38][B:39]([c:40]2[cH:41][c:42]([NH2:46])[cH:43][n:44][cH:45]2)[O:47]1.[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Cl:1][C:2]1=[N:8][CH:7]([CH2:9][c:10]2[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]2)[C:6](=[O:17])[N:5]([CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:4]2[c:3]1[cH:30][c:29]([Cl:31])[cH:28][cH:27]2.[Cs+:49].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:48].[OH2:50].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([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)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[C:2]1([c:40]2[cH:41][c:42]([NH2:46])[cH:43][n:44][cH:45]2)=[N:8][CH:7]([CH2:9][c:10]2[c:11]([Cl:16])[cH:12][cH:13][cH:14][cH:15]2)[C:6](=[O:17])[N:5]([CH2:18][c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[c:4]2[c:3]1[cH:30][c:29]([Cl:31])[cH:28][cH:27]2