HRID124929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

HCID59451392

未命名化合物

结构：CCOC(=O)c1nc(CO[Si](C)(C)C(C)(C)C)cn1COCC[Si](C)(C)C

HCID70937136

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)OCc1cn(COCC[Si](C)(C)C)c(C(=O)NCc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)n1

HCID70937189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-762d7728888b4d24869f870965f46ffd
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

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