HRID122822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID3776

Isopropanol

C3H8O

HCID5413

Tetraethylammonium

C8H20N+

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID2735547

4-Bromo-2-chloro-1-iodobenzene

C6H3BrClI

HCID4574913

未命名化合物

结构：CC(C)[Si](Sc1cccc(C2(C(N)=O)CCOCC2)c1)(C(C)C)C(C)C

HCID56601410

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：NC(=O)C1(c2cccc(Sc3ccc(Br)cc3Cl)c2)CCOCC1

HCID66657566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a508c40af9e46b08a506a73df95e528
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

[Br:27][c:28]1[cH:29][c:30]([Cl:35])[c:31]([I:34])[cH:32][cH:33]1.[CH2:46]([N+:47]([CH2:48][CH3:49])([CH2:50][CH3:51])[CH2:52][CH3:53])[CH3:54].[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH:137]([OH:138])([CH3:139])[CH3:140].[CH:1]([Si:2]([CH:3]([CH3:4])[CH3:21])([S:5][c:6]1[cH:7][c:8]([C:12]2([C:18](=[O:19])[NH2:20])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[CH:22]([CH3:23])[CH3:24])([CH3:25])[CH3:26].[Cl-:45].[Cs+:37].[F-:36].[K+:43].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:44].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([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)([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)[cH:135][cH:136]1>>[S:5]([c:6]1[cH:7][c:8]([C:12]2([C:18](=[O:19])[NH2:20])[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:9][cH:10][cH:11]1)[c:31]1[c:30]([Cl:35])[cH:29][c:28]([Br:27])[cH:33][cH:32]1