HRID1240164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID579643

1,5-Dimethyl-1H-pyrazole-4-carbaldehyde

C6H8N2O

结构：NC1CCC(CNc2nc(NCc3ccccc3OC(F)(F)F)ncc2[N+](=O)[O-])CC1

HCID16202211

未命名化合物

PRODUCTS

生成物

结构：Cc1c(CNC2CCC(CNc3nc(NCc4ccccc4OC(F)(F)F)ncc3[N+](=O)[O-])CC2)cnn1C

HCID25167578

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a5046f4450d46dd8e12f7283e7bfd13
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:44](=[O:45])([O-:46])[O-:47].[CH3:32][n:33]1[n:34][cH:35][c:36]([CH:39]=[O:40])[c:37]1[CH3:38].[Cl:41][CH2:42][Cl:43].[NH2:1][CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1.[Na+:48].[Na+:49]>>[NH:1]([CH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][NH:9][c:10]2[n:11][c:12]([NH:19][CH2:20][c:21]3[c:22]([O:27][C:28]([F:29])([F:30])[F:31])[cH:23][cH:24][cH:25][cH:26]3)[n:13][cH:14][c:15]2[N+:16](=[O:17])[O-:18])[CH2:6][CH2:7]1)[CH2:39][c:36]1[cH:35][n:34][n:33]([CH3:32])[c:37]1[CH3:38]