HRID305918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID86615151

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NNC(=O)C(OCCCl)c1ccc(Cl)nc1

HCID86615150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-613fb804b12a4464a16b5bb3412588d2
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:30]([NH:31][NH2:32])(=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38].[CH2:11]([Cl:12])[CH2:13][Cl:14].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:15][CH2:16][CH2:17][O:18][CH:19]([C:20](=[O:21])[OH:22])[c:23]1[cH:24][n:25][c:26]([Cl:29])[cH:27][cH:28]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:44].[OH:1][n:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7][cH:8]2)[n:9][n:10]1>>[Cl:15][CH2:16][CH2:17][O:18][CH:19]([C:20](=[O:22])[NH:32][NH:31][C:30](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[c:23]1[cH:24][n:25][c:26]([Cl:29])[cH:27][cH:28]1