HRID1212638

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2733924

5-Bromothiophene-2-sulfonyl chloride

C4H2BrClO2S2

结构：CC(O)(c1ccc(N2CCNCC2Cc2ccccc2)cc1)C(F)(F)F

HCID77148400

未命名化合物

PRODUCTS

生成物

结构：CC(O)(c1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2Cc2ccccc2)cc1)C(F)(F)F

HCID77148477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b09802e5d8884e2698346f8cf0504d31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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