HRID2332223

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

HCID8071

未命名化合物

PRODUCTS

生成物

结构：CCc1c(C=O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)s1

HCID86659006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-265e3e23408c465eac2d8a732f247c3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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