HRID115259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID8471

Triethylamine

C6H15N

HCID83372

Dimethylsulphamoyl chloride

C2H6ClNO2S

结构：O=C(OCCO)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID13259764

未命名化合物

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)OCCOC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

HCID13279416

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-992b432f8558407a86019b19dd34b4cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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