HRID1569453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID268471

未命名化合物

结构：COCCN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CN)cc1

HCID19689858

未命名化合物

PRODUCTS

生成物

结构：COCCN(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(CNC(=O)C(C)NC(=O)OC(C)(C)C)cc1

HCID19689969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd855e8d784f42c0b9b56937153796ac
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:33](=[O:34])([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[NH:40][CH:41]([CH3:42])[C:43](=[O:44])[OH:45].[C:51](=[O:52])([OH:53])[O-:54].[CH2:46]([Cl:47])[CH2:48][Cl:49].[CH2:56]([Cl:57])[Cl:58].[ClH:50].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH2:10][CH2:11][O:12][CH3:13])[CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([C:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:30])[CH2:20][CH2:21]2)[cH:31][cH:32]1.[Na+:55].[OH2:59]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[N:9]([CH2:10][CH2:11][O:12][CH3:13])[CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([C:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:30])[CH2:20][CH2:21]2)[cH:31][cH:32]1)[C:43]([CH:41]([NH:40][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH3:42])=[O:44]