HRID171803

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+

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID83242

4-Phenylbutylamine

C10H15N

结构：COC(CC1CCCC(C(=O)O)N1C(=O)OCc1ccccc1)OC

HCID54351909

未命名化合物

PRODUCTS

生成物

结构：COC(CC1CCCC(C(=O)NCCCCc2ccccc2)N1C(=O)OCc1ccccc1)OC

HCID54300776

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3561ae2273ee4db19065bf870030aab2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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