HRID126161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23398394

Methyl (5-bromopyridin-3-yl)acetate

C8H8BrNO2

结构：CCC(CC)(c1ccc(CCC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

HCID57708996

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：CCC(CC)(c1ccc(CCC2(O[Si](C)(C)C)CCCC2)c(C)c1)c1ccc(-c2cncc(CC(=O)OC)c2)c(C)c1

HCID57709005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-043877911a2047e780bb32f8d5612ef4
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

[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:24])[c:9]([CH2:12][CH2:13][C:14]2([O:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)[c:25]1[cH:26][c:27]([CH3:40])[c:28]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[cH:29][cH:30]1.[CH3:141][N:142]([CH3:143])[CH:144]=[O:145].[CH3:41][O:42][C:43]([CH2:44][c:45]1[cH:46][n:47][cH:48][c:49]([Br:51])[cH:50]1)=[O:52].[Cl-:61].[K+:58].[K+:59].[K+:60].[NH4+:62].[OH2:140].[P:53]([O-:54])([O-:55])([O-:56])=[O:57].[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>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:24])[c:9]([CH2:12][CH2:13][C:14]2([O:19][Si:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17][CH2:18]2)[cH:10][cH:11]1)[c:25]1[cH:26][c:27]([CH3:40])[c:28](-[c:49]2[cH:48][n:47][cH:46][c:45]([CH2:44][C:43]([O:42][CH3:41])=[O:52])[cH:50]2)[cH:29][cH:30]1