HRID2333472

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID152939

1,2-Diamino-4,5-dimethoxybenzene

C8H12N2O2

HCID19028304

4-{[(Benzyloxy)carbonyl](methyl)amino}butanoic acid

C13H17NO4

PRODUCTS

生成物

结构：COc1cc(N)c(NC(=O)CCCN(C)C(=O)OCc2ccccc2)cc1OC

HCID68414218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd52974e79f64556991056c6482e08df
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

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]([CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[CH3:18].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH2:62]([Cl:63])[CH2:64][Cl:65].[CH3:40][O:41][c:42]1[cH:43][c:44]([NH2:51])[c:45]([NH2:50])[cH:46][c:47]1[O:48][CH3:49].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[ClH:38].[ClH:39].[Na+:56].[O-:52][C:53]([OH:54])=[O:55].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]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]([CH2:12][CH2:13][CH2:14][C:15](=[O:17])[NH:50][c:45]1[c:44]([NH2:51])[cH:43][c:42]([O:41][CH3:40])[c:47]([O:48][CH3:49])[cH:46]1)[CH3:18]