HRID690520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID31275

1,4-Dioxane

C4H8O2

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

HCID81531

Diisopropylethylamine

C8H19N

HCID59683238

未命名化合物

PRODUCTS

产物

HCID59683236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce8cb361a3c44090a85efcf96b9ba6d0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:42][Si:43]([N:44]=[C:45]=[O:46])([CH3:47])[CH3:48].[CH:33]([N:36]([CH2:34][CH3:35])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:55][CH2:56][Cl:57].[ClH:32].[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[c:6]([NH:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]2)[c:7]2[c:8]([n:9][c:10]1[CH2:11][CH3:12])[n:13]([CH2:16][CH3:17])[n:14][cH:15]2.[OH2:58]>>[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[c:6]([NH:18][CH:19]2[CH2:20][CH2:21][N:22]([C:25](=[O:26])[NH2:36])[CH2:23][CH2:24]2)[c:7]2[c:8]([n:9][c:10]1[CH2:11][CH3:12])[n:13]([CH2:16][CH3:17])[n:14][cH:15]2