HRID211688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID408285

2-Morpholinoethylamine

C6H14N2O

HCID178524798

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCN1CCOCC1)c1c[nH]c(-c2n[nH]c3ncccc23)c1

HCID178523411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d64594feed74bca93cb18653aace73f
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:34]([P:35](=[O:36])([O:37][CH2:38][CH3:39])[O:40][CH2:41][CH3:42])#[N:43].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:44][C:45]#[N:46].[Cl:52][CH2:53][Cl:54].[NH2:25][CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[nH:8]1[n:9][c:10](-[c:17]2[cH:18][c:19]([C:22](=[O:23])[OH:24])[cH:20][nH:21]2)[c:11]2[c:12]1[n:13][cH:14][cH:15][cH:16]2>>[nH:8]1[n:9][c:10](-[c:17]2[cH:18][c:19]([C:22](=[O:24])[NH:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:20][nH:21]2)[c:11]2[c:12]1[n:13][cH:14][cH:15][cH:16]2