HRID688315

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID70091

Hydrazinecarboxylic acid, 1,1-dimethylethyl ester

C5H12N2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：COCCN(CC1CC1C)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)n1

HCID59028359

未命名化合物

PRODUCTS

生成物

结构：COCCN(CC1CC1C)c1cc(C(=O)NNC(=O)OC(C)(C)C)cc(N(C)S(C)(=O)=O)n1

HCID69498270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db44b1d27d8449258dd32dd02e484769
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:35](=[O:36])([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[NH:42][NH2:43].[CH2:54]([Cl:55])[CH2:56][Cl:57].[CH3:1][O:2][CH2:3][CH2:4][N:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH3:20])[n:14]1)[CH2:21][CH:22]1[CH:23]([CH3:25])[CH2:24]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[Cl:58][CH2:59][Cl:60].[OH:44][n:45]1[c:46]2[n:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([c:6]1[cH:7][c:8]([C:9](=[O:10])[NH:43][NH:42][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:12][c:13]([N:15]([S:16](=[O:17])(=[O:18])[CH3:19])[CH3:20])[n:14]1)[CH2:21][CH:22]1[CH:23]([CH3:25])[CH2:24]1