HRID2122668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID100949

1-(2-Nitrophenyl)piperazine

C10H13N3O2

结构：CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCC=O)C1

HCID22293897

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1

HCID10121299

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51b5e9bc7d774af0ab5db802fb4be3d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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