HRID2139743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID574072

Trimethylboroxine

C3H9B3O3

反应SMILES：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

反应SMILES：Cc1nc2c(cc1Br)CC1CN(C(=O)OC(C)(C)C)CC(C)N21

HCID178432052

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc2c(nc1C)N1C(C)CN(C(=O)OC(C)(C)C)CC1C2

HCID178422155

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c66f76a08a284eceb95ca80172129f03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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