HRID285879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2761177

3,3,3-Trifluoropropane-1-sulfonyl chloride

C3H4ClF3O2S

结构：Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(O)cc1

HCID58965075

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1

HCID11548933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf46a2c60564a9dac6233251bd2baa1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[Cl:49][CH2:50][Cl:51].[F:38][C:39]([CH2:40][CH2:41][S:42](=[O:43])(=[O:44])[Cl:45])([F:46])[F:47].[N:1]1([NH:7][C:8](=[O:9])[c:10]2[n:11][c:12](-[c:23]3[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[n:13](-[c:16]3[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]3)[c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH2:48]>>[N:1]1([NH:7][C:8](=[O:9])[c:10]2[n:11][c:12](-[c:23]3[c:24]([Cl:30])[cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[n:13](-[c:16]3[cH:17][cH:18][c:19]([O:22][S:42]([CH2:41][CH2:40][C:39]([F:38])([F:46])[F:47])(=[O:43])=[O:44])[cH:20][cH:21]3)[c:14]2[CH3:15])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1