HRID284885

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

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCN)cc2)C(OCc2ccc3ccccc3c2)C1

HCID53930099

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCCNC(=O)c3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

HCID54192667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57702db27a13400691eacd61a9b099f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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