HRID1203671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID17858

1,2-Epoxydodecane

C12H24O

HCID123351

Perchlorate

ClO4-

2 次

反应SMILES：CCOC(=O)C(=O)N(Cc1ccc(N)cc1)Cc1ccc(C(F)(F)F)cc1

HCID67187634

未命名化合物

PRODUCTS

产物

反应SMILES：CCCCCCCCCCC(O)CNc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C(=O)OCC)cc1

HCID67186542

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a87e313b27224acbbf8a94373f9670d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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