HRID177136

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2777223

2-(Trifluoromethoxy)benzoate

C8H5F3O3

结构：CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(N)nc3cc21

HCID59300824

未命名化合物

PRODUCTS

生成物

结构：CCCCCN1C(=O)C(C)(C)c2cc3[nH]c(NC(=O)c4ccccc4OC(F)(F)F)nc3cc21

HCID59300870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-859633848be64d92bfd638dc09ece00e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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