HRID1548675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID21787347

5-Nitrothiophene-2-sulfonyl chloride

C4H2ClNO4S2

结构：CC(C)(C)OC(=O)N1CCN(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)cn2)C(CN(c2ccccc2)S(C)(=O)=O)C1

HCID123343268

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)N(CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1c1ncc(C(O)(C(F)(F)F)C(F)(F)F)cn1)c1ccccc1

HCID178505088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0c7ea70f452844f390e84def496de071
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][CH:13]1[CH2:14][N:15]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[CH2:16][CH2:17][N:18]1[c:19]1[n:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][n:24]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[Cl:68][CH2:69][Cl:70].[F:42][C:43]([F:44])([F:45])[C:46]([OH:47])=[O:48].[N+:56](=[O:57])([O-:58])[c:59]1[cH:60][cH:61][c:62]([S:64](=[O:65])(=[O:66])[Cl:67])[s:63]1>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][CH:13]1[CH2:14][N:15]([S:64]([c:62]2[cH:61][cH:60][c:59]([N+:56](=[O:57])[O-:58])[s:63]2)(=[O:65])=[O:66])[CH2:16][CH2:17][N:18]1[c:19]1[n:20][cH:21][c:22]([C:25]([C:26]([F:27])([F:28])[F:29])([C:30]([F:31])([F:32])[F:33])[OH:34])[cH:23][n:24]1