HRID101291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(B3OC(C)(C)C(C)(C)O3)cc12

HCID59275475

未命名化合物

HCID67210885

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：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)OC)c(OC)cc3OCC(N)=O)cc12

HCID59275516

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75aad9a584e740e4b259f91c67af8bf9
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:54](=[O:55])([O-:56])[O-:57].[CH3:140][C:141]#[N:142].[Cl:60][CH2:61][Cl:62].[Cs+:58].[Cs+:59].[F:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[o:33][c:34]3[c:35]([c:36]2[C:37](=[O:38])[NH:39][CH3:40])[cH:41][c:42]([B:45]2[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]2)[cH:43][cH:44]3)[cH:30][cH:31]1.[NH2:1][C:2]([CH2:3][O:4][c:5]1[cH:6][c:7]([O:16][CH3:17])[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][c:14]1[Br:15])=[O:18].[O:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[OH2:143].[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>>[NH2:1][C:2]([CH2:3][O:4][c:5]1[cH:6][c:7]([O:16][CH3:17])[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13][c:14]1-[c:42]1[cH:41][c:35]2[c:34]([o:33][c:32](-[c:29]3[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]3)[c:36]2[C:37](=[O:38])[NH:39][CH3:40])[cH:44][cH:43]1)=[O:18]