HRID679934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15413

Methyl tert-butyl ether

C5H12O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID57437179

未命名化合物

HCID58102341

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(C(=O)N2C3CCC(C3)C2CNC(=O)C(F)(F)F)c(-c2cccc(F)c2)s1

HCID91103971

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7be5a8a4bb0048b7988569914c6a2c48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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