HRID1571036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：CNCC1CN(C(=O)OC(C)(C)C)CC1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C

HCID68616633

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(CC2CN(C(=O)OC(C)(C)C)CC2CN(C)C(=O)C2CC2)C(C)C)ccc1OC

HCID72311496

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31561a9997f746cc8fbae77bc6e01fc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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