HRID1225538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID996

Phenol

C6H6O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

反应SMILES：O=C(O)c1ncn2c1CN(C(=O)N1CCCC1)c1ccccc1-2

HCID22912861

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Oc1ccccc1)c1ncn2c1CN(C(=O)N1CCCC1)c1ccccc1-2

HCID22912910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-99911800e5294eb5a621655079bdf877
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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