HRID833135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

HCID130500

未命名化合物

HCID14320324

4-Methylmorpholine-2,6-dione

C5H7NO3

结构：[NH3+]c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F

HCID178514183

未命名化合物

PRODUCTS

生成物

HCID84468

Trifluoroacetate

C2F3O2-

结构：C[NH+]1CC(=O)N(c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)C(=O)C1

HCID178486204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa7ded20fb8d46848d5ee9af2ada9c4c
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

[B-:38]([F:39])([F:40])([F:41])[F:42].[CH3:1][N:2]1[CH2:3][C:4](=[O:9])[O:5][C:6](=[O:8])[CH2:7]1.[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH3:76][N:77]([c:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1)[CH3:84].[CH3:86][C:87]#[N:88].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:17][c:18]1[c:19]([Cl:37])[cH:20][c:21]2[n:22]1[c:23]([CH2:28][c:29]1[cH:30][cH:31][c:32]([F:36])[c:33]([NH3+:35])[cH:34]1)[cH:24][nH:25][c:26]2=[O:27].[F:10][C:11]([C:12](=[O:13])[O-:14])([F:15])[F:16].[OH2:85].[n:43]1([O:44][C:45]([N:46]([CH3:47])[CH3:48])=[N+:49]([CH3:50])[CH3:51])[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[CH3:1][NH+:2]1[CH2:3][C:4](=[O:9])[N:35]([c:33]2[c:32]([F:36])[cH:31][cH:30][c:29]([CH2:28][c:23]3[n:22]4[c:18]([Cl:17])[c:19]([Cl:37])[cH:20][c:21]4[c:26](=[O:27])[nH:25][cH:24]3)[cH:34]2)[C:6](=[O:8])[CH2:7]1.[F:10][C:11]([C:12](=[O:13])[O-:14])([F:15])[F:16]