HRID155455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID4067274

tert-Butyl hydrogen prop-2-en-1-ylcarbonimidate

C8H15NO2

结构：O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(Cl)ccc12

HCID86012996

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)NCCCc1ccc2c(NC(=O)CC3CCCCC3)c(Cl)ccc2n1

HCID86609738

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67107a9511c04495811e7406d272d14c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH:9]=[CH2:10])=[O:11].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH:12]12[CH2:13][CH2:14][CH2:15][CH:16]([BH:17]1)[CH2:18][CH2:19][CH2:20]2.[Cl:29][c:30]1[n:31][c:32]2[cH:33][cH:34][c:35]([Cl:50])[c:36]([NH:40][C:41]([CH2:42][CH:43]3[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]3)=[O:49])[c:37]2[cH:38][cH:39]1.[K+:26].[K+:27].[K+:28].[OH2:51].[P:21]([O-:22])([O-:23])([O-:24])=[O:25].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([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)[cH:132][cH:133]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][c:30]1[n:31][c:32]2[cH:33][cH:34][c:35]([Cl:50])[c:36]([NH:40][C:41]([CH2:42][CH:43]3[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]3)=[O:49])[c:37]2[cH:38][cH:39]1)=[O:11]