HRID104532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID61186

Valeryl chloride

C5H9ClO

结构：CC(C)n1nc(C(=O)NCCN2CCC(N)CC2)c2ccccc21

HCID9840452

未命名化合物

PRODUCTS

生成物

结构：CCCCC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1

HCID10835560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e1124874f584939b5b26a295b2523a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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