HRID169518

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1608

3,4-Dichlorobenzenemethanamine

C7H7Cl2N

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2733845

N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine

C9H17NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C)(C)C(=O)NCc1ccc(Cl)c(Cl)c1

HCID58859130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87ecac51c83c47429265ec0b5801ff02
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

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