HRID178118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)O)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1

HCID58981119

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)NCCN(C)C)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1

HCID58981003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e0acd46e8a641099d54e73674127c68
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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