HRID306158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID12699

N-Nitroso-N-methylurea

C2H5N3O2

HCID105144

Palladium(2+)

Pd+2

结构：C=Cc1cc(C#N)cc(Oc2c(Cl)ccc(CNC(=O)c3c(Cl)ncn3COCC[Si](C)(C)C)c2F)c1

HCID68487056

未命名化合物

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1cnc(Cl)c1C(=O)NCc1ccc(Cl)c(Oc2cc(C#N)cc(C3CC3)c2)c1F

HCID68487607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db4d58b29f2d4329b01fe84e7da7c579
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

[CH3:3][N:4]([N:5]=[O:6])[C:7]([NH2:8])=[O:9].[CH3:50][CH2:51][O:52][CH2:53][CH3:54].[Cl:10][c:11]1[n:12][cH:13][n:14]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[c:15]1[C:16](=[O:17])[NH:18][CH2:19][c:20]1[c:21]([F:38])[c:22]([O:27][c:28]2[cH:29][c:30]([C:36]#[N:37])[cH:31][c:32]([CH:34]=[CH2:35])[cH:33]2)[c:23]([Cl:26])[cH:24][cH:25]1.[Cl:47][CH2:48][Cl:49].[K+:2].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[OH-:1].[Pd+2:55]>>[CH2:3]1[CH:34]([c:32]2[cH:31][c:30]([C:36]#[N:37])[cH:29][c:28]([O:27][c:22]3[c:21]([F:38])[c:20]([CH2:19][NH:18][C:16]([c:15]4[c:11]([Cl:10])[n:12][cH:13][n:14]4[CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])=[O:17])[cH:25][cH:24][c:23]3[Cl:26])[cH:33]2)[CH2:35]1