HRID119143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19378712

2,6-Dichloropyridine-3-sulfonyl chloride

C5H2Cl3NO2S

结构：OC(c1ccc(N2CCNCC2)cc1)(C(F)(F)F)C(F)(F)F

HCID86623761

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)nc1Cl)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)CC1

HCID86670391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2cc91cd4620f4f78a36b0ae3770763fa
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

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