HRID827358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID12988800

1-(2,2,2-Trifluoroacetamido)cyclopropane-1-carboxylic acid

C6H6F3NO3

结构：COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc(C(C)[NH3+])c(F)c1

HCID178498356

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc(C(C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1

HCID21075878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-076bc36e95214bd1bebe46dad15b7112
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[Cl-:1].[Cl:2][c:3]1[c:4]([C:20](=[O:21])[O:22][CH3:23])[c:5](-[c:10]2[cH:11][c:12]([F:19])[c:13]([CH:16]([CH3:17])[NH3+:18])[n:14][cH:15]2)[cH:6][c:7]([Cl:9])[cH:8]1.[Cl:66][CH2:67][Cl:68].[ClH:37].[F:24][C:25]([C:26](=[O:27])[NH:28][C:29]1([C:32](=[O:33])[OH:34])[CH2:30][CH2:31]1)([F:35])[F:36].[OH:49][n:50]1[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[Cl:2][c:3]1[c:4]([C:20](=[O:21])[O:22][CH3:23])[c:5](-[c:10]2[cH:11][c:12]([F:19])[c:13]([CH:16]([CH3:17])[NH:18][C:32]([C:29]3([NH:28][C:26]([C:25]([F:24])([F:35])[F:36])=[O:27])[CH2:30][CH2:31]3)=[O:33])[n:14][cH:15]2)[cH:6][c:7]([Cl:9])[cH:8]1