HRID90977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID24085

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCC(c2c(F)cccc2F)CNC1=S

HCID178452685

未命名化合物

HCID178514206

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(c2c(F)cccc2F)CNC1=NCC(O)CC(F)(F)F

HCID178452684

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aca85d61e51b4d2f9f2bb34046170f81
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

[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:42][CH2:43][OH:44].[Cl-:25].[Cl:45][Hg:46][Cl:47].[F:1][c:2]1[c:3]([CH:9]2[CH2:10][CH2:11][CH:12]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[C:13](=[S:16])[NH:14][CH2:15]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[F:26][C:27]([CH2:28][CH:29]([CH2:30][NH3+:31])[OH:32])([F:33])[F:34]>>[F:1][c:2]1[c:3]([CH:9]2[CH2:10][CH2:11][CH:12]([NH:17][C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[C:13](=[N:31][CH2:30][CH:29]([CH2:28][C:27]([F:26])([F:33])[F:34])[OH:32])[NH:14][CH2:15]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1