HRID822378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1018

Picolinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(N)C1

HCID66929833

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N1CCn2c(nc(-c3ccncn3)cc2=O)C(NC(=O)c2ccccn2)C1

HCID44158890

Ethyl 6,7,9,10-tetrahydro-4-oxo-10-[(2-pyridinylcarbonyl)amino]-2-(4-pyrimidinyl)pyrimido[1,2-d][1,4]diazepine-8(4H)-carboxylate

C21H21N7O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d60074556512472cbea3b53c45a8710a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:34]([P:35](=[O:36])([O:37][CH2:38][CH3:39])[O:40][CH2:41][CH3:42])#[N:43].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][n:9]2[c:10]([n:14][c:15](-[c:19]3[n:20][cH:21][n:22][cH:23][cH:24]3)[cH:16][c:17]2=[O:18])[CH:11]([NH2:13])[CH2:12]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[OH2:62].[n:25]1[c:26]([C:31](=[O:32])[OH:33])[cH:27][cH:28][cH:29][cH:30]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH2:7][CH2:8][n:9]2[c:10]([n:14][c:15](-[c:19]3[n:20][cH:21][n:22][cH:23][cH:24]3)[cH:16][c:17]2=[O:18])[CH:11]([NH:13][C:31]([c:26]2[n:25][cH:30][cH:29][cH:28][cH:27]2)=[O:32])[CH2:12]1