HRID1200754

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID184268

3-methoxybenzene-1,2-diamine

C7H10N2O

HCID19028304

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

C13H17NO4

PRODUCTS

生成物

结构：COc1cccc(NC(=O)CCCN(C)C(=O)OCc2ccccc2)c1N

HCID67380324

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31350e762deb4363887c24605e0b0a55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

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].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH2:58]([Cl:59])[CH2:60][Cl:61].[CH3:38][O:39][c:40]1[c:41]([NH2:47])[c:42]([NH2:46])[cH:43][cH:44][cH:45]1.[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[Na+:52].[O-:48][C:49]([OH:50])=[O:51].[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:46][c:42]1[c:41]([NH2:47])[c:40]([O:39][CH3:38])[cH:45][cH:44][cH:43]1)[CH3:18]