HRID2339560

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID135

4-Hydroxybenzoic acid

C7H6O3

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

结构：NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1

HCID86624041

未命名化合物

结构：O=C(NCC(COCc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1ccccc1)c1cc[n+](Cc2ccccc2)cc1

HCID86624043

未命名化合物

PRODUCTS

生成物

结构：O=C(NCC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1)c1ccc(O)cc1

HCID86624051

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86f6b770af8a4ef6b57e6c9f6d3563fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:2]([n+:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][CH2:10][CH:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[c:29]([C:30]([F:31])([F:32])[F:33])[cH:34]2)[cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:80][CH2:81][N:82]([CH2:83][CH3:84])[CH2:85][CH3:86].[Cl-:1].[Cl:87][CH2:88][Cl:89].[ClH:53].[F:54][C:55]([c:56]1[cH:57][c:58]([CH2:59][O:60][CH2:61][CH:62]([CH2:63][NH2:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][c:72]([C:74]([F:75])([F:76])[F:77])[cH:73]1)([F:78])[F:79].[OH:43][C:44](=[O:45])[c:46]1[cH:47][cH:48][c:49]([OH:50])[cH:51][cH:52]1>>[C:44](=[O:45])([c:46]1[cH:47][cH:48][c:49]([OH:50])[cH:51][cH:52]1)[NH:64][CH2:63][CH:62]([CH2:61][O:60][CH2:59][c:58]1[cH:57][c:56]([C:55]([F:54])([F:78])[F:79])[cH:73][c:72]([C:74]([F:75])([F:76])[F:77])[cH:71]1)[c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1