HRID2318848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3csc4ccccc34)nc21

HCID58980952

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)NCCN(C)C)cn3C)n(Cc3csc4ccccc34)nc21

HCID58980974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ba821f7871546b798c21c3571e9fdd5
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:42]([P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50])#[N:51].[CH3:36][N:37]([CH2:38][CH2:39][NH2:40])[CH3:41].[s:1]1[cH:2][c:3]([CH2:10][n:11]2[n:12][c:13]3[n:14]([CH2:32][CH:33]([CH3:34])[CH3:35])[c:15](=[O:31])[n:16]([CH3:30])[c:17](=[O:29])[c:18]3[c:19]2-[c:20]2[cH:21][c:22]([C:26](=[O:27])[OH:28])[cH:23][n:24]2[CH3:25])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[cH:2][c:3]([CH2:10][n:11]2[n:12][c:13]3[n:14]([CH2:32][CH:33]([CH3:34])[CH3:35])[c:15](=[O:31])[n:16]([CH3:30])[c:17](=[O:29])[c:18]3[c:19]2-[c:20]2[cH:21][c:22]([C:26](=[O:28])[NH:40][CH2:39][CH2:38][N:37]([CH3:36])[CH3:41])[cH:23][n:24]2[CH3:25])[c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2