HRID2138742

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

HCID30159

Benzene, 2-(bromomethyl)-1,3-dichloro- (9CI)

C7H5BrCl2

结构：COC(=O)C(N)CNC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1

HCID69562941

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CNC(=O)N1CCC2(CC1)C(=O)N(C)CN2c1ccccc1)NCc1c(Cl)cccc1Cl

HCID20814908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9ce10feaf9545b4883f3d0747f28bdc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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