HRID942794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID4341843

3-[(4-Fluorophenyl)amino]-3-oxopropanoic acid

C9H8FNO3

结构：CC(C)(C)OC(=O)Nc1cc(Oc2ccc(N)cc2F)ncn1

HCID59853037

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)ncn1

HCID11706000

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8a750b35eeb4033a5e32524b5dccb1b
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

[B-:38]([F:39])([F:40])([F:41])[F:42].[CH3:72][OH:73].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[Cl:69][CH2:70][Cl:71].[F:24][c:25]1[cH:26][cH:27][c:28]([NH:31][C:32]([CH2:33][C:34](=[O:35])[OH:36])=[O:37])[cH:29][cH:30]1.[NH2:1][c:2]1[cH:3][c:4]([F:23])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[n:10][cH:11][n:12]2)[cH:21][cH:22]1.[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>>[NH:1]([c:2]1[cH:3][c:4]([F:23])[c:5]([O:6][c:7]2[cH:8][c:9]([NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[n:10][cH:11][n:12]2)[cH:21][cH:22]1)[C:34]([CH2:33][C:32]([NH:31][c:28]1[cH:27][cH:26][c:25]([F:24])[cH:30][cH:29]1)=[O:37])=[O:35]