HRID207332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID9321

Hydrazine

H4N2

HCID19660

Carbonate

CO3-2

结构：O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl

HCID67302

Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-

C12H9ClN2O4S

HCID228349

N-Methylhomopiperazine

C6H14N2

结构：CN1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1

HCID22272561

未命名化合物

PRODUCTS

生成物

结构：CN1CCCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2N)CC1

HCID10135406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4d33c4aa52e48b0952cc194dd8ea72c
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

[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][NH:6][CH2:7][CH2:8]1.[CH3:35][N:36]1[CH2:37][CH2:38][N:39]([c:43]2[c:44]([N+:59]([O-:60])=[O:61])[cH:45][c:46]([S:49](=[O:50])(=[O:51])[NH:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[cH:47][cH:48]2)[CH2:40][CH2:41][CH2:42]1.[CH3:68][CH2:69][OH:70].[CH3:76][CH2:77][OH:78].[CH3:79][CH2:80][O:81][CH2:82][CH3:83].[CH3:84][CH2:85][O:86][C:87]([CH3:88])=[O:89].[Cl:65][CH2:66][Cl:67].[Cl:9][c:10]1[cH:11][cH:12][c:13]([S:14]([NH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)(=[O:22])=[O:23])[cH:24][c:25]1[N+:26]([O-:27])=[O:28].[K+:29].[K+:30].[NH2:63][NH2:64].[O-:31][C:32]([O-:33])=[O:34].[OH2:62]>>[CH3:35][N:36]1[CH2:37][CH2:38][N:39]([c:43]2[c:44]([NH2:59])[cH:45][c:46]([S:49](=[O:50])(=[O:51])[NH:52][c:53]3[cH:54][cH:55][cH:56][cH:57][cH:58]3)[cH:47][cH:48]2)[CH2:40][CH2:41][CH2:42]1