HRID1127571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CC(C)(C)OC(=O)N1CCN(c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)CC1

HCID66662612

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)N1CCN(c2ccc(C3(C(=O)OC(C)(C)C)CC3)cc2)CC1

HCID66662173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-dc3a4ebaaccd423da2655180da2e3547
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

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