HRID2161216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2[nH]1

HCID56605409

未命名化合物

结构：CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(Br)cc2[nH]1

HCID58185275

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：CC(C)(C)OC(=O)N1CCCC1c1nc2ccc(-c3ccc4nc(C5CCCN5C(=O)OC(C)(C)C)[nH]c4c3)cc2[nH]1

HCID66620798

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02e8286e20b6404eab3b8a215080887a
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[CH:9]([c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][c:19]([Br:22])[cH:20][cH:21]3)[CH2:10][CH2:11][CH2:12]1.[C:23]([CH3:24])([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[N:30]1[CH:31]([c:35]2[n:36][c:37]3[c:38]([nH:39]2)[cH:40][c:41]([B:44]2[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]2)[cH:42][cH:43]3)[CH2:32][CH2:33][CH2:34]1.[C:53](=[O:54])([O-:55])[O-:56].[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[K+:57].[K+:58].[OH2:65].[cH:72]1[cH:73][cH:74][c:75]([P:76]([Pd:77]([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[P:116]([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)([c:135]2[cH:136][cH:137][cH:138][cH:139][cH:140]2)[c:141]2[cH:142][cH:143][cH:144][cH:145][cH:146]2)[cH:147][cH:148]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:13]2[n:14][c:15]3[c:16]([nH:17]2)[cH:18][c:19](-[c:41]2[cH:40][c:38]4[c:37]([n:36][c:35]([CH:31]5[N:30]([C:28]([O:27][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:29])[CH2:34][CH2:33][CH2:32]5)[nH:39]4)[cH:43][cH:42]2)[cH:20][cH:21]3)[CH2:10][CH2:11][CH2:12]1