HRID1140871

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)Nc1cc[c]([Sn]([CH3])([CH3])[CH3])cc1

HCID19692795

未命名化合物

结构：COc1cccc(-c2nc(OS(=O)(=O)C(F)(F)F)co2)c1

HCID59262976

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：COc1cccc(-c2nc(-c3ccc(NC(=O)OC(C)(C)C)cc3)co2)c1

HCID59262979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbb19b07d38c4880873f75928cb5125c
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

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