HRID1567653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

4 次

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID12706437

未命名化合物

结构：CC(C)(C)OC(=O)N1CCN(Cc2cnc(F)c(B(O)O)c2)CC1

HCID59548218

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：CSc1nc(C)nc(-c2cc(CN3CCN(C(=O)OC(C)(C)C)CC3)cnc2F)n1

HCID59548392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-796b519975054b01be5a3f1a571c9dd1
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

[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][N:21]([CH2:24][c:25]2[cH:26][c:27]([B:32]([OH:33])[OH:34])[c:28]([F:31])[n:29][cH:30]2)[CH2:22][CH2:23]1.[C:35](=[O:36])([O-:37])[O-:38].[CH2:126]1[O:127][CH2:128][CH2:129][O:130][CH2:131]1.[Cl:1][c:2]1[n:3][c:4]([S:9][CH3:10])[n:5][c:6]([CH3:8])[n:7]1.[Na+:39].[Na+:40].[Na+:41].[Na+:42].[O-:43][S:44]([O-:45])(=[O:46])=[O:47].[OH2:125].[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:2]1(-[c:27]2[cH:26][c:25]([CH2:24][N:21]3[CH2:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]3)[cH:30][n:29][c:28]2[F:31])[n:3][c:4]([S:9][CH3:10])[n:5][c:6]([CH3:8])[n:7]1