HRID949013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6386

tert-Butyl alcohol

C4H10O

HCID81531

Diisopropylethylamine

C8H19N

HCID199401

Phosphinic azide, diphenyl-

C12H10N3OP

结构：O=C(O)COC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(F)cc21

HCID59492492

未命名化合物

PRODUCTS

生成物

结构：OC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(F)cc21

HCID59492689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50516d5fdd8f4d4287bd67b1537bcfba
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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