HRID210690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

2 次

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：O=[N+]([O-])c1cnc(NCc2ccccc2OC(F)(F)F)nc1NCC1CCC(N2CC(O)C2)CC1

HCID25169325

未命名化合物

PRODUCTS

生成物

结构：O=C1CN(C2CCC(CNc3nc(NCc4ccccc4OC(F)(F)F)ncc3[N+](=O)[O-])CC2)C1

HCID25168241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6b4e0a729af4d2891b29ee641db6ebc
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

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