HRID319670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID5413

Tetraethylammonium

C8H20N+

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

结构：c1ccc(P(c2ccccc2)c2ccccc2Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1

HCID4285986

[Oxydi(2,1-phenylene)]bis(diphenylphosphane)

C36H28OP2

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

HCID66657475

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)ccc1-c1ccnn1C

HCID57864126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cafc611876cc4e8b8f82926d5273410f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:66][c:67]1[cH:68][c:69]([CH3:79])[c:70](-[c:73]2[cH:74][cH:75][n:76][n:77]2[CH3:78])[cH:71][cH:72]1.[CH2:83]([N+:84]([CH2:85][CH3:86])([CH2:87][CH3:88])[CH2:89][CH3:90])[CH3:91].[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-:82].[Cs+:81].[F-:80].[O:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[P:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[P:53]([c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]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:67]1[cH:68][c:69]([CH3:79])[c:70](-[c:73]2[cH:74][cH:75][n:76][n:77]2[CH3:78])[cH:71][cH:72]1