HRID2328789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9321

Hydrazine

H4N2

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID81531

Diisopropylethylamine

C8H19N

结构：CNc1ccc(Oc2ccnc(NC(=O)CNC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-]

HCID59790099

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Nc1cc(Oc2ccc(NC)c([N+](=O)[O-])c2)ccn1

HCID59790278

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10e2771412c14142808d035d3f467f57
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

[C:7]([O:8][C:9](=[O:10])[NH:11][CH2:12][C:13](=[O:14])[NH:16][c:17]1[n:18][cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][c:26]([N+:32](=[O:33])[O-:34])[c:27]([NH:30][CH3:31])[cH:28][cH:29]2)[cH:22]1)([CH3:15])([CH3:35])[CH3:36].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][C:2](=[O:3])[O:4][CH2:5][CH3:6].[NH2:47][NH2:48].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:46]>>[C:2](=[O:3])([O:4][CH2:5][CH3:6])[NH:16][c:17]1[n:18][cH:19][cH:20][c:21]([O:23][c:24]2[cH:25][c:26]([N+:32](=[O:33])[O-:34])[c:27]([NH:30][CH3:31])[cH:28][cH:29]2)[cH:22]1